 Entering Gaussian System, Link 0=g16
 Input=36b_RhEn3-lel2ob_STD_M11-def2SVPDr.in
 Output=36b_RhEn3-lel2ob_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/36b_RhEn3-lel2ob_STD/Gau-4631.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/36b_RhEn3-lel2ob_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      4632.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36b_RhEn3-lel2ob_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:28:03 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36b_RhEn3-lel2ob_STD_M11-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.549130000000     -1.314427000000     -0.788263000000
  C                                                -2.489211000000     -1.476014000000      0.711136000000
  N                                                -1.044481000000     -1.454430000000      1.136257000000
  Rh                                               -0.000130000000      0.001194000000     -0.000069000000
  N                                                 0.979011000000     -1.499359000000     -1.135079000000
  C                                                 2.421772000000     -1.582914000000     -0.710906000000
  C                                                 2.489662000000     -1.422620000000      0.788334000000
  N                                                 1.765206000000     -0.157327000000      1.164490000000
  N                                                -1.771326000000     -0.081265000000     -1.164692000000
  N                                                 0.846355000000      1.588228000000     -1.125363000000
  C                                                 0.738354000000      2.867165000000     -0.338772000000
  H                                                 3.522736000000     -1.386984000000      1.135893000000
  H                                                 2.001302000000     -2.252121000000      1.300550000000
  H                                                 2.857264000000     -2.531090000000     -1.027803000000
  H                                                 2.968216000000     -0.788605000000     -1.220402000000
  H                                                -2.965540000000     -2.404079000000      1.028788000000
  H                                                -3.001107000000     -0.658112000000      1.219196000000
  H                                                -3.579527000000     -1.235079000000     -1.136554000000
  H                                                -2.096291000000     -2.164483000000     -1.299497000000
  H                                                -2.362756000000      0.735150000000     -1.010250000000
  H                                                -1.609574000000     -0.093550000000     -2.171636000000
  H                                                -0.655838000000     -2.389231000000      1.013613000000
  H                                                -1.001113000000     -1.293216000000      2.142374000000
  H                                                 0.550136000000     -2.416064000000     -1.010284000000
  H                                                 0.941873000000     -1.338186000000     -2.141433000000
  H                                                 2.390480000000      0.633399000000      1.009972000000
  H                                                 1.602819000000     -0.162719000000      2.171382000000
  C                                                -0.610551000000      2.897132000000      0.338045000000
  N                                                -0.774945000000      1.624430000000      1.124896000000
  H                                                 1.817285000000      1.452090000000     -1.405369000000
  H                                                 0.343548000000      1.706576000000     -2.005010000000
  H                                                 1.547070000000      2.884615000000      0.392932000000
  H                                                 0.872026000000      3.729136000000     -0.993286000000
  H                                                -0.705735000000      3.764310000000      0.992421000000
  H                                                -1.417928000000      2.950178000000     -0.393378000000
  H                                                -1.750811000000      1.531991000000      1.405639000000
  H                                                -0.266808000000      1.720469000000      2.004222000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1          12          14           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  14.0030740   1.0078250
 NucSpn=           1           1           1           1           1           1           1           0           2           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   4.5500000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.4037610   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   7.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 17:28:03 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549130   -1.314427   -0.788263
      2          6           0       -2.489211   -1.476014    0.711136
      3          7           0       -1.044481   -1.454430    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979011   -1.499359   -1.135079
      6          6           0        2.421772   -1.582914   -0.710906
      7          6           0        2.489662   -1.422620    0.788334
      8          7           0        1.765206   -0.157327    1.164490
      9          7           0       -1.771326   -0.081265   -1.164692
     10          7           0        0.846355    1.588228   -1.125363
     11          6           0        0.738354    2.867165   -0.338772
     12          1           0        3.522736   -1.386984    1.135893
     13          1           0        2.001302   -2.252121    1.300550
     14          1           0        2.857264   -2.531090   -1.027803
     15          1           0        2.968216   -0.788605   -1.220402
     16          1           0       -2.965540   -2.404079    1.028788
     17          1           0       -3.001107   -0.658112    1.219196
     18          1           0       -3.579527   -1.235079   -1.136554
     19          1           0       -2.096291   -2.164483   -1.299497
     20          1           0       -2.362756    0.735150   -1.010250
     21          1           0       -1.609574   -0.093550   -2.171636
     22          1           0       -0.655838   -2.389231    1.013613
     23          1           0       -1.001113   -1.293216    2.142374
     24          1           0        0.550136   -2.416064   -1.010284
     25          1           0        0.941873   -1.338186   -2.141433
     26          1           0        2.390480    0.633399    1.009972
     27          1           0        1.602819   -0.162719    2.171382
     28          6           0       -0.610551    2.897132    0.338045
     29          7           0       -0.774945    1.624430    1.124896
     30          1           0        1.817285    1.452090   -1.405369
     31          1           0        0.343548    1.706576   -2.005010
     32          1           0        1.547070    2.884615    0.392932
     33          1           0        0.872026    3.729136   -0.993286
     34          1           0       -0.705735    3.764310    0.992421
     35          1           0       -1.417928    2.950178   -0.393378
     36          1           0       -1.750811    1.531991    1.405639
     37          1           0       -0.266808    1.720469    2.004222
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509271   0.000000
     3  N    2.446906   1.506134   0.000000
     4  Rh   2.974812   2.980517   2.121496   0.000000
     5  N    3.549966   3.929074   3.042286   2.120996   0.000000
     6  C    4.978748   5.113842   3.929813   2.979983   1.506142
     7  C    5.280794   4.979758   3.551370   2.974540   2.446931
     8  N    4.874999   4.477112   3.094772   2.120787   2.776179
     9  N    1.505778   2.445284   2.776374   2.121387   3.094547
    10  N    4.479772   4.887567   4.236503   2.121674   3.090451
    11  C    5.338099   5.512049   4.902081   2.978904   4.445059
    12  H    6.369866   6.027591   4.567715   3.953231   3.411815
    13  H    5.094001   4.595047   3.152792   3.282494   2.746638
    14  H    5.546778   5.720305   4.589768   3.953909   2.145649
    15  H    5.559167   5.829827   4.700947   3.305159   2.114093
    16  H    2.159262   1.090457   2.145659   3.954433   4.589153
    17  H    2.159844   1.090471   2.114092   3.305625   4.700175
    18  H    1.090560   2.158888   3.411780   3.953739   4.566193
    19  H    1.090421   2.161254   2.746521   3.282158   3.150699
    20  H    2.069971   2.805068   3.337604   2.672295   4.021942
    21  H    2.070514   3.315923   3.621254   2.704624   3.122743
    22  H    2.826042   2.070438   1.019773   2.677991   2.842795
    23  H    3.314429   2.072750   1.019874   2.695835   3.834721
    24  H    3.296718   3.617266   2.841686   2.677025   1.019733
    25  H    3.744160   4.464133   3.834367   2.695691   1.019855
    26  H    5.606017   5.324501   4.021683   2.671120   3.337985
    27  H    5.227295   4.538917   3.122210   2.703981   3.620556
    28  C    4.771152   4.774198   4.445394   2.978824   4.901626
    29  N    3.929986   3.566884   3.090657   2.121504   4.235789
    30  H    5.205768   5.621325   4.805978   2.717161   3.080067
    31  H    4.355975   5.052806   4.667563   2.654474   3.382102
    32  H    5.983814   5.950454   5.108422   3.295815   4.677257
    33  H    6.097858   6.426240   5.922610   3.955337   5.231511
    34  H    5.688806   5.542644   5.231700   3.955244   5.922064
    35  H    4.429719   4.686019   4.677587   3.295656   5.108211
    36  H    3.681388   3.174218   3.080613   2.717396   4.805857
    37  H    4.713551   4.102274   3.382029   2.654092   4.666323
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509312   0.000000
     8  N    2.445503   1.505754   0.000000
     9  N    4.476934   4.875404   4.235320   0.000000
    10  N    3.565088   3.927837   3.022363   3.104997   0.000000
    11  C    4.772377   4.768616   3.530124   3.959025   1.505347
    12  H    2.158976   1.090554   2.145177   5.918166   4.596540
    13  H    2.161154   1.090382   2.112443   5.002275   4.686922
    14  H    1.090465   2.159211   3.410790   5.238724   4.584981
    15  H    1.090465   2.160095   2.744714   4.792358   3.187579
    16  H    5.720488   5.548000   5.238919   3.410713   5.925321
    17  H    5.829937   5.560455   4.792861   2.743727   5.034478
    18  H    6.026421   6.369884   5.917983   2.145150   5.249726
    19  H    4.593208   5.093168   5.001107   2.112717   4.772036
    20  H    5.324916   5.606856   4.750377   1.019890   3.322557
    21  H    4.539129   5.227962   4.745834   1.019927   3.155099
    22  H    3.618811   3.298372   3.296303   3.363931   4.759410
    23  H    4.465565   3.746422   3.146271   3.605376   4.732226
    24  H    2.070456   2.825548   3.362727   3.296106   4.016882
    25  H    2.072776   3.314561   3.605750   3.145683   3.099261
    26  H    2.806144   2.070308   1.019849   4.749793   2.802798
    27  H    3.315904   2.070426   1.019917   4.745617   3.808751
    28  C    5.510544   5.336135   3.956887   3.532204   2.444866
    29  N    4.886330   4.478331   3.102997   3.023968   2.773732
    30  H    3.171582   3.678095   3.032674   3.909889   1.019628
    31  H    4.100544   4.711735   3.942204   2.893994   1.020098
    32  H    4.684269   4.426861   3.145838   4.715335   2.115855
    33  H    5.540697   5.686080   4.534133   4.640673   2.145132
    34  H    6.424596   6.095610   4.638361   4.536195   3.410180
    35  H    5.949205   5.982229   4.713373   3.147930   2.741840
    36  H    5.620751   5.205036   3.908238   3.034735   3.626900
    37  H    5.051012   4.353794   2.891427   3.943582   3.324293
                   11         12         13         14         15
    11  C    0.000000
    12  H    5.293884   0.000000
    13  H    5.521730   1.757935   0.000000
    14  H    5.840009   2.536417   2.496342   0.000000
    15  H    4.371980   2.493527   3.071156   1.756604   0.000000
    16  H    6.585975   6.568385   4.976592   6.176629   6.548135
    17  H    5.370141   6.564962   5.250865   6.548096   6.449921
    18  H    6.009073   7.458501   6.174099   6.566868   6.563483
    19  H    5.854544   6.173256   4.853678   4.974528   5.248669
    20  H    3.822729   6.614257   5.771359   6.157698   5.548446
    21  H    4.199761   6.241260   5.454716   5.215611   4.726956
    22  H    5.603786   4.298829   2.676103   4.065635   4.548252
    23  H    5.146902   4.635408   3.262309   5.144845   5.226707
    24  H    5.329058   3.808075   2.733627   2.310060   2.922308
    25  H    4.579955   4.171822   3.715496   2.516330   2.292685
    26  H    3.088421   2.319441   2.926110   3.792678   2.707479
    27  H    4.028445   2.501428   2.298421   4.173440   3.709480
    28  C    1.509478   6.006186   5.853460   6.584594   5.368518
    29  N    2.444747   5.247742   4.771378   5.924137   5.033330
    30  H    2.074647   4.174556   4.590974   4.133985   2.525781
    31  H    2.068620   5.435312   5.417209   5.023098   3.705458
    32  H    1.090741   4.764641   5.236044   5.750214   4.256178
    33  H    1.090528   6.142829   6.504797   6.567556   4.985537
    34  H    2.159245   6.666062   6.604577   7.510548   6.254881
    35  H    2.158570   6.749800   6.451701   6.980262   5.822433
    36  H    3.319880   6.033529   5.330000   6.607921   5.877965
    37  H    2.795511   4.977038   4.628277   6.085126   5.211433
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756679   0.000000
    18  H    2.536187   2.493395   0.000000
    19  H    2.496780   3.071101   1.757934   0.000000
    20  H    3.791541   2.705384   2.319113   2.926182   0.000000
    21  H    4.173716   3.708482   2.501039   2.299192   1.613333
    22  H    2.309800   2.922212   3.808312   2.734208   4.095284
    23  H    2.516558   2.292508   4.171686   3.715508   3.988405
    24  H    4.064226   4.546680   4.297067   2.674044   4.291281
    25  H    5.143375   5.225267   4.632869   3.259151   4.061880
    26  H    6.157400   5.548061   6.613605   5.770000   5.165743
    27  H    5.215278   4.727389   6.240922   5.453208   5.162822
    28  C    5.841741   4.373894   5.297587   5.523487   3.092295
    29  N    4.586592   3.189779   4.599633   4.688230   2.805497
    30  H    6.608372   5.878622   6.034792   5.329811   4.259444
    31  H    6.086993   5.212866   4.979766   4.629866   3.042581
    32  H    6.981278   5.824048   6.752274   6.452270   4.677164
    33  H    7.512125   6.256531   6.669354   6.606014   4.407727
    34  H    6.569404   4.987783   6.146959   6.506698   3.991519
    35  H    5.752019   4.257535   4.768773   5.238414   2.485876
    36  H    4.136451   2.528745   4.178950   4.593587   2.616477
    37  H    5.024592   3.708140   5.438184   5.417972   3.801433
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.040492   0.000000
    23  H    4.518861   1.610765   0.000000
    24  H    3.377448   2.356110   3.688687   0.000000
    25  H    2.838999   3.689403   4.704064   1.610831   0.000000
    26  H    5.162511   4.291429   4.061660   4.094817   3.989607
    27  H    5.402412   3.376287   2.838895   4.038404   4.518733
    28  C    4.029978   5.329548   4.578991   5.603145   5.147402
    29  N    3.809880   4.016970   3.098237   4.758196   4.732173
    30  H    3.836604   5.169483   5.297788   4.089544   3.015589
    31  H    2.661372   5.185219   5.292226   4.245977   3.105991
    32  H    5.040920   5.749043   5.196928   5.573158   4.961987
    33  H    4.707417   6.617887   6.210075   6.153648   5.196236
    34  H    5.070628   6.153780   5.195018   6.617028   6.210565
    35  H    3.530327   5.574019   4.960863   5.748948   5.197540
    36  H    3.931822   4.090065   3.014402   5.168963   5.298130
    37  H    4.746733   4.245266   3.104929   5.183199   5.291761
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613408   0.000000
    28  C    3.818659   4.197954   0.000000
    29  N    3.318925   3.153220   1.505301   0.000000
    30  H    2.613939   3.930236   3.319944   3.626513   0.000000
    31  H    3.798915   4.745764   2.796003   3.324769   1.611283
    32  H    2.481945   3.528773   2.158355   2.741458   2.314958
    33  H    3.987773   5.069094   2.159330   3.410131   2.499653
    34  H    4.403346   4.705415   1.090535   2.145093   4.178683
    35  H    4.673417   5.039150   1.090711   2.115701   3.706076
    36  H    4.256091   3.834741   2.074502   1.019645   4.543067
    37  H    3.038327   2.658918   2.068536   1.020118   4.005094
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.930250   0.000000
    33  H    2.322418   1.757982   0.000000
    34  H    3.784159   2.491662   2.536454   0.000000
    35  H    2.691970   3.068191   2.492098   1.757973   0.000000
    36  H    4.006164   3.705562   4.178703   2.499236   2.314849
    37  H    4.055449   2.691030   3.783747   2.322431   2.930145
                   36         37
    36  H    0.000000
    37  H    1.611239   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.63D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549129   -1.314430   -0.788263
      2          6           0       -2.489209   -1.476017    0.711136
      3          7           0       -1.044479   -1.454431    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979013   -1.499358   -1.135079
      6          6           0        2.421774   -1.582911   -0.710906
      7          6           0        2.489664   -1.422617    0.788334
      8          7           0        1.765206   -0.157325    1.164490
      9          7           0       -1.771326   -0.081267   -1.164692
     10          7           0        0.846353    1.588229   -1.125363
     11          6           0        0.738351    2.867166   -0.338772
     12          1           0        3.522738   -1.386980    1.135893
     13          1           0        2.001305   -2.252119    1.300550
     14          1           0        2.857267   -2.531087   -1.027803
     15          1           0        2.968217   -0.788602   -1.220402
     16          1           0       -2.965537   -2.404082    1.028788
     17          1           0       -3.001106   -0.658115    1.219196
     18          1           0       -3.579526   -1.235083   -1.136554
     19          1           0       -2.096289   -2.164485   -1.299497
     20          1           0       -2.362757    0.735147   -1.010250
     21          1           0       -1.609574   -0.093552   -2.171636
     22          1           0       -0.655835   -2.389232    1.013613
     23          1           0       -1.001112   -1.293217    2.142374
     24          1           0        0.550139   -2.416063   -1.010284
     25          1           0        0.941875   -1.338185   -2.141433
     26          1           0        2.390479    0.633402    1.009972
     27          1           0        1.602819   -0.162717    2.171382
     28          6           0       -0.610554    2.897131    0.338045
     29          7           0       -0.774947    1.624429    1.124896
     30          1           0        1.817283    1.452092   -1.405369
     31          1           0        0.343546    1.706576   -2.005010
     32          1           0        1.547067    2.884617    0.392932
     33          1           0        0.872022    3.729137   -0.993286
     34          1           0       -0.705739    3.764309    0.992421
     35          1           0       -1.417931    2.950176   -0.393378
     36          1           0       -1.750813    1.531989    1.405639
     37          1           0       -0.266810    1.720469    2.004222
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7011504           0.6913191           0.4695393
 Leave Link  202 at Fri Jul 23 17:28:03 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     28
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     29
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          1
                                   No pseudopotential on this center.
   13          1
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          6
                                   No pseudopotential on this center.
   29          7
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.2090739051 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 17:28:05 2021, MaxMem= 10737418240 cpu:              21.2 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20722 LenP2D=   45925.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  9.69D-06  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul 23 17:28:07 2021, MaxMem= 10737418240 cpu:              21.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:28:07 2021, MaxMem= 10737418240 cpu:               2.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36b_RhEn3-lel2ob_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:28:09 2021, MaxMem= 10737418240 cpu:              16.9 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736915163 LenY= 10736669643
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.386663613880    
 DIIS: error= 7.18D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.386663613880     IErMin= 1 ErrMin= 7.18D-03
 ErrMax= 7.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-02 BMatP= 2.89D-02
 IDIUse=3 WtCom= 9.28D-01 WtEn= 7.18D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.449 Goal=   None    Shift=    0.000
 GapD=    0.449 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.39D-03 MaxDP=1.27D+00              OVMax= 2.50D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.82D-03    CP:  1.27D+00
 E= -680.414587659256     Delta-E=       -0.027924045376 Rises=F Damp=F
 DIIS: error= 9.72D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.414587659256     IErMin= 2 ErrMin= 9.72D-04
 ErrMax= 9.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-03 BMatP= 2.89D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.72D-03
 Coeff-Com: -0.372D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.368D-01 0.104D+01
 Gap=     0.443 Goal=   None    Shift=    0.000
 RMSDP=1.86D-03 MaxDP=2.54D-01 DE=-2.79D-02 OVMax= 1.16D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.62D-04    CP:  1.33D+00  1.15D+00
 E= -680.415840109625     Delta-E=       -0.001252450369 Rises=F Damp=F
 DIIS: error= 1.53D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.415840109625     IErMin= 2 ErrMin= 9.72D-04
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.58D-04 BMatP= 1.16D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com: -0.517D-01 0.447D+00 0.605D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.509D-01 0.440D+00 0.611D+00
 Gap=     0.449 Goal=   None    Shift=    0.000
 RMSDP=3.94D-04 MaxDP=3.22D-02 DE=-1.25D-03 OVMax= 8.13D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.00D-04    CP:  1.33D+00  1.18D+00  7.19D-01
 E= -680.416355243710     Delta-E=       -0.000515134085 Rises=F Damp=F
 DIIS: error= 4.04D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.416355243710     IErMin= 4 ErrMin= 4.04D-04
 ErrMax= 4.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-04 BMatP= 6.58D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.04D-03
 Coeff-Com: -0.138D-01 0.474D-02 0.301D+00 0.708D+00
 Coeff-En:   0.000D+00 0.000D+00 0.262D-01 0.974D+00
 Coeff:     -0.137D-01 0.472D-02 0.299D+00 0.710D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.34D-04 MaxDP=1.19D-02 DE=-5.15D-04 OVMax= 2.29D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.42D-05    CP:  1.34D+00  1.18D+00  8.22D-01  8.38D-01
 E= -680.416469420838     Delta-E=       -0.000114177128 Rises=F Damp=F
 DIIS: error= 1.48D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.416469420838     IErMin= 5 ErrMin= 1.48D-04
 ErrMax= 1.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.61D-06 BMatP= 1.32D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.48D-03
 Coeff-Com:  0.250D-02-0.606D-01 0.277D-01 0.215D+00 0.815D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.250D-02-0.605D-01 0.276D-01 0.215D+00 0.815D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=3.56D-05 MaxDP=4.59D-03 DE=-1.14D-04 OVMax= 9.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.80D-05    CP:  1.34D+00  1.18D+00  8.29D-01  8.93D-01  1.14D+00
 E= -680.416478769961     Delta-E=       -0.000009349123 Rises=F Damp=F
 DIIS: error= 2.67D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.416478769961     IErMin= 6 ErrMin= 2.67D-05
 ErrMax= 2.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-06 BMatP= 6.61D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-02-0.228D-01-0.176D-01 0.730D-03 0.322D+00 0.716D+00
 Coeff:      0.199D-02-0.228D-01-0.176D-01 0.730D-03 0.322D+00 0.716D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.11D-05 MaxDP=8.60D-04 DE=-9.35D-06 OVMax= 2.23D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.36D-06    CP:  1.34D+00  1.18D+00  8.37D-01  8.93D-01  1.16D+00
                    CP:  8.54D-01
 E= -680.416480123995     Delta-E=       -0.000001354034 Rises=F Damp=F
 DIIS: error= 7.67D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.416480123995     IErMin= 7 ErrMin= 7.67D-06
 ErrMax= 7.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.44D-08 BMatP= 1.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.189D-03 0.612D-02-0.159D-02-0.298D-01-0.773D-01 0.913D-02
 Coeff-Com:  0.109D+01
 Coeff:     -0.189D-03 0.612D-02-0.159D-02-0.298D-01-0.773D-01 0.913D-02
 Coeff:      0.109D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=3.47D-06 MaxDP=2.11D-04 DE=-1.35D-06 OVMax= 9.03D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.30D-06    CP:  1.34D+00  1.18D+00  8.37D-01  8.90D-01  1.19D+00
                    CP:  9.48D-01  1.14D+00
 E= -680.416480217712     Delta-E=       -0.000000093717 Rises=F Damp=F
 DIIS: error= 1.18D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.416480217712     IErMin= 8 ErrMin= 1.18D-06
 ErrMax= 1.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-09 BMatP= 4.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-03 0.220D-02 0.793D-03-0.698D-02-0.273D-01-0.266D-01
 Coeff-Com:  0.200D+00 0.858D+00
 Coeff:     -0.122D-03 0.220D-02 0.793D-03-0.698D-02-0.273D-01-0.266D-01
 Coeff:      0.200D+00 0.858D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=5.76D-07 MaxDP=3.27D-05 DE=-9.37D-08 OVMax= 1.37D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.79D-07    CP:  1.34D+00  1.18D+00  8.37D-01  8.89D-01  1.19D+00
                    CP:  9.49D-01  1.17D+00  1.10D+00
 E= -680.416480220835     Delta-E=       -0.000000003123 Rises=F Damp=F
 DIIS: error= 4.47D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.416480220835     IErMin= 9 ErrMin= 4.47D-07
 ErrMax= 4.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-10 BMatP= 2.47D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-04-0.113D-04 0.459D-03 0.805D-03 0.422D-03-0.856D-02
 Coeff-Com: -0.525D-01 0.234D+00 0.826D+00
 Coeff:     -0.165D-04-0.113D-04 0.459D-03 0.805D-03 0.422D-03-0.856D-02
 Coeff:     -0.525D-01 0.234D+00 0.826D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=2.22D-07 MaxDP=1.93D-05 DE=-3.12D-09 OVMax= 6.04D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.90D-08    CP:  1.34D+00  1.18D+00  8.38D-01  8.89D-01  1.20D+00
                    CP:  9.50D-01  1.17D+00  1.16D+00  9.09D-01
 E= -680.416480221305     Delta-E=       -0.000000000470 Rises=F Damp=F
 DIIS: error= 2.37D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.416480221305     IErMin=10 ErrMin= 2.37D-07
 ErrMax= 2.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-11 BMatP= 2.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.473D-05-0.111D-03-0.140D-04 0.435D-03 0.151D-02 0.613D-03
 Coeff-Com: -0.129D-01-0.391D-01 0.354D-01 0.101D+01
 Coeff:      0.473D-05-0.111D-03-0.140D-04 0.435D-03 0.151D-02 0.613D-03
 Coeff:     -0.129D-01-0.391D-01 0.354D-01 0.101D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=5.11D-08 MaxDP=3.12D-06 DE=-4.70D-10 OVMax= 3.99D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.67D-08    CP:  1.34D+00  1.18D+00  8.38D-01  8.89D-01  1.20D+00
                    CP:  9.50D-01  1.17D+00  1.17D+00  9.50D-01  1.19D+00
 E= -680.416480221319     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 1.71D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.416480221319     IErMin=11 ErrMin= 1.71D-07
 ErrMax= 1.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.60D-12 BMatP= 1.36D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.307D-05-0.304D-04-0.607D-04 0.506D-04 0.389D-03 0.116D-02
 Coeff-Com:  0.234D-02-0.402D-01-0.850D-01 0.349D+00 0.773D+00
 Coeff:      0.307D-05-0.304D-04-0.607D-04 0.506D-04 0.389D-03 0.116D-02
 Coeff:      0.234D-02-0.402D-01-0.850D-01 0.349D+00 0.773D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=2.18D-08 MaxDP=1.75D-06 DE=-1.39D-11 OVMax= 2.26D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.61D-08    CP:  1.34D+00  1.18D+00  8.38D-01  8.89D-01  1.20D+00
                    CP:  9.50D-01  1.17D+00  1.17D+00  9.63D-01  1.29D+00
                    CP:  1.04D+00
 E= -680.416480221377     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 1.05D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -680.416480221377     IErMin=12 ErrMin= 1.05D-07
 ErrMax= 1.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-12 BMatP= 5.60D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-05 0.372D-04-0.142D-04-0.165D-03-0.529D-03 0.137D-03
 Coeff-Com:  0.612D-02 0.423D-02-0.379D-01-0.320D+00 0.214D+00 0.113D+01
 Coeff:     -0.112D-05 0.372D-04-0.142D-04-0.165D-03-0.529D-03 0.137D-03
 Coeff:      0.612D-02 0.423D-02-0.379D-01-0.320D+00 0.214D+00 0.113D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.94D-08 MaxDP=2.08D-06 DE=-5.78D-11 OVMax= 2.72D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.13D-08    CP:  1.34D+00  1.18D+00  8.38D-01  8.89D-01  1.20D+00
                    CP:  9.50D-01  1.17D+00  1.17D+00  9.72D-01  1.34D+00
                    CP:  1.28D+00  1.40D+00
 E= -680.416480221375     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 4.67D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -680.416480221377     IErMin=13 ErrMin= 4.67D-08
 ErrMax= 4.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-13 BMatP= 1.75D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.343D-06-0.327D-05 0.205D-04 0.246D-04 0.573D-04-0.287D-03
 Coeff-Com: -0.250D-02 0.941D-02 0.348D-01-0.277D-01-0.255D+00-0.236D+00
 Coeff-Com:  0.148D+01
 Coeff:     -0.343D-06-0.327D-05 0.205D-04 0.246D-04 0.573D-04-0.287D-03
 Coeff:     -0.250D-02 0.941D-02 0.348D-01-0.277D-01-0.255D+00-0.236D+00
 Coeff:      0.148D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=1.31D-06 DE= 2.05D-12 OVMax= 1.78D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.15D-09    CP:  1.34D+00  1.18D+00  8.38D-01  8.89D-01  1.20D+00
                    CP:  9.51D-01  1.17D+00  1.17D+00  9.75D-01  1.35D+00
                    CP:  1.39D+00  1.79D+00  1.46D+00
 E= -680.416480221335     Delta-E=        0.000000000039 Rises=F Damp=F
 DIIS: error= 1.05D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -680.416480221377     IErMin=14 ErrMin= 1.05D-08
 ErrMax= 1.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-14 BMatP= 2.44D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-06-0.293D-05-0.329D-05 0.113D-04 0.420D-04 0.398D-04
 Coeff-Com: -0.111D-03-0.199D-02-0.284D-02 0.325D-01 0.262D-01-0.543D-01
 Coeff-Com: -0.255D+00 0.125D+01
 Coeff:      0.181D-06-0.293D-05-0.329D-05 0.113D-04 0.420D-04 0.398D-04
 Coeff:     -0.111D-03-0.199D-02-0.284D-02 0.325D-01 0.262D-01-0.543D-01
 Coeff:     -0.255D+00 0.125D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=3.79D-09 MaxDP=4.79D-07 DE= 3.93D-11 OVMax= 3.30D-07

 SCF Done:  E(RM11) =  -680.416480221     A.U. after   14 cycles
            NFock= 14  Conv=0.38D-08     -V/T= 2.1276
 KE= 6.034027999152D+02 PE=-3.899891689296D+03 EE= 1.417863335255D+03
 Leave Link  502 at Fri Jul 23 17:37:36 2021, MaxMem= 10737418240 cpu:            9058.8 elap:             567.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.65710699D+02

 Leave Link  801 at Fri Jul 23 17:37:37 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 2.89D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 1.20D-01 7.37D-02.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 3.59D-02 5.77D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 5.44D-03 2.14D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 7.99D-04 6.21D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 8.40D-05 2.94D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 1.10D-05 9.54D-04.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 6.32D-07 1.26D-04.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 2.41D-08 2.81D-05.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 1.19D-09 6.14D-06.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 5.58D-11 1.38D-06.
     10 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 1.53D-12 2.11D-07.
      4 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 3.66D-14 2.84D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.152215D+03
      2 -0.774437D-02  0.151135D+03
      3 -0.202096D-01 -0.583359D-03  0.123096D+03
 Isotropic polarizability for W=    0.085645      142.15 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.614305D+01 -0.939121D+02 -0.156213D+00
      2   0.627267D+01  0.997737D+02  0.150631D+00
      3  -0.129614D+00 -0.586162D+01  0.558230D-02
      4  -0.922705D+02  0.629432D+01 -0.453587D+01
      5  -0.153059D+00  0.570026D+00 -0.220085D+00
      6  -0.799140D+01  0.129167D+00 -0.865725D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.605069D+00  0.142350D+00  0.123188D+01
      2   0.619568D-01  0.310377D+01 -0.255181D-01
      3   0.180436D+01 -0.832051D-01 -0.492699D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.510589D+01 -0.214638D-01  0.279562D+01
      2  -0.315427D-02  0.345553D+01 -0.904709D-01
      3   0.164160D+01 -0.216542D-01 -0.856142D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.364866D+00 -0.541540D-01 -0.204409D+00
      2  -0.541540D-01 -0.190215D+01  0.131652D-01
      3  -0.204409D+00  0.131652D-01 -0.891003D+00
 OR G Eigenvalues:    -1.9035    -0.9234     0.3986  Iso=     0.8094
 Eigenvectors:
   (1)   0.023115   0.999698  -0.008332
   (2)   0.156895   0.004603   0.987605
   (3)   0.987345  -0.024136  -0.156741
 w=    0.085645 a.u., Optical Rotation Beta=      0.8094 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      135.55 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 7.35D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.74D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 3.48D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 4.48D-01 2.85D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.41D-02 2.24D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 3.39D-04 2.63D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 1.09D-05 3.13D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 1.80D-07 4.91D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 2.02D-09 5.84D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 2.42D-11 4.69D-07.
     30 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 2.88D-13 5.30D-08.
      6 vectors produced by pass  9 Test12= 6.57D-14 2.78D-09 XBig12= 2.96D-15 6.03D-09.
      2 vectors produced by pass 10 Test12= 6.57D-14 2.78D-09 XBig12= 2.17D-15 4.68D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   278 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 5.36D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 5.36D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.83D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152215D+03 -0.774437D-02 -0.202096D-01
      2  -0.774437D-02  0.151135D+03 -0.583359D-03
      3  -0.202096D-01 -0.583359D-03  0.123096D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.605069D+00  0.142350D+00  0.123188D+01
      2   0.619568D-01  0.310377D+01 -0.255181D-01
      3   0.180436D+01 -0.832051D-01 -0.492699D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.614305D+01 -0.939121D+02 -0.156213D+00
      2   0.627267D+01  0.997737D+02  0.150631D+00
      3  -0.129614D+00 -0.586162D+01  0.558230D-02
      4  -0.922705D+02  0.629432D+01 -0.453587D+01
      5  -0.153059D+00  0.570026D+00 -0.220085D+00
      6  -0.799140D+01  0.129167D+00 -0.865725D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.743284D+01  0.607636D+00  0.373854D+01 -0.989428D+00 -0.284928D+01
      2   0.607636D+00 -0.254192D+01 -0.163008D+00 -0.284928D+01  0.100056D+01
      3   0.373854D+01 -0.163008D+00  0.516580D+00 -0.878368D+00  0.222653D+01
                 6             7             8             9            10 
      1  -0.878368D+00  0.332041D+01 -0.251331D+00  0.722308D+00 -0.115523D+01
      2   0.222653D+01 -0.251331D+00  0.164724D+01  0.119911D+01  0.596722D+00
      3   0.112641D+01  0.722308D+00  0.119911D+01 -0.649218D+00 -0.223493D+01
                11            12            13            14            15 
      1   0.596722D+00 -0.223493D+01  0.182845D+01  0.531688D+01 -0.783267D+00
      2   0.411813D+01 -0.101858D-02  0.531688D+01  0.261397D+01 -0.359436D+01
      3  -0.101858D-02  0.963966D+00 -0.783267D+00 -0.359436D+01 -0.253744D+00
                16            17            18            19            20 
      1  -0.191278D+01 -0.575387D+00  0.119330D+01 -0.228576D+01 -0.385594D+01
      2  -0.575387D+00 -0.296886D+01 -0.145108D+00 -0.385594D+01 -0.653194D+01
      3   0.119330D+01 -0.145108D+00  0.748585D+00  0.337721D+01  0.251824D+01
                21            22            23            24            25 
      1   0.337721D+01 -0.215661D+01 -0.438358D+01  0.147356D+01  0.220632D+01
      2   0.251824D+01 -0.438358D+01 -0.355476D+01  0.304813D+01  0.142493D+01
      3  -0.159450D+01  0.147356D+01  0.304813D+01 -0.189260D+01 -0.122499D+01
                26            27            28            29            30 
      1   0.142493D+01 -0.122499D+01  0.721702D-01  0.164696D+01 -0.461880D-02
      2   0.341931D+01 -0.200290D+01  0.164696D+01 -0.133028D+00 -0.168685D+01
      3  -0.200290D+01 -0.134769D+01 -0.461880D-02 -0.168685D+01 -0.393907D-02
                31            32            33            34            35 
      1   0.168815D+01 -0.124686D+00  0.196228D+01 -0.134372D-01 -0.696870D-01
      2  -0.124686D+00 -0.199590D+01 -0.317028D-03 -0.696870D-01 -0.472851D-02
      3   0.196228D+01 -0.317028D-03  0.160161D+00 -0.414300D-03  0.755866D-01
                36            37            38            39            40 
      1  -0.414300D-03  0.182652D+01 -0.345693D+01 -0.319624D+01 -0.184407D+01
      2   0.755866D-01 -0.345693D+01  0.666775D+01  0.251720D+01  0.444120D+01
      3  -0.376730D-02 -0.319624D+01  0.251720D+01  0.150906D+01  0.146936D+01
                41            42            43            44            45 
      1   0.444120D+01  0.146936D+01 -0.209547D+01  0.136394D+01  0.113215D+01
      2  -0.422861D+01 -0.322344D+01  0.136394D+01 -0.354860D+01 -0.204650D+01
      3  -0.322344D+01 -0.195197D+01  0.113215D+01 -0.204650D+01  0.134934D+01
                46            47            48            49            50 
      1   0.126530D+01  0.126006D+00  0.220665D+01  0.132589D+01 -0.526200D+01
      2   0.126006D+00 -0.398704D+01  0.502496D-01 -0.526200D+01  0.324593D+01
      3   0.220665D+01  0.502496D-01 -0.974210D+00 -0.725335D+00  0.362100D+01
                51            52            53            54            55 
      1  -0.725335D+00  0.188483D+01 -0.531459D+00 -0.120180D+01 -0.735800D+01
      2   0.362100D+01 -0.531459D+00  0.301986D+01 -0.109037D+00  0.114517D+01
      3  -0.209543D+00 -0.120180D+01 -0.109037D+00 -0.734365D+00 -0.375975D+01
                56            57            58            59            60 
      1   0.114517D+01 -0.375975D+01 -0.448453D+00  0.288962D+01 -0.809910D+00
      2   0.246213D+01 -0.810197D-01  0.288962D+01  0.626741D+00 -0.218349D+01
      3  -0.810197D-01 -0.475112D+00 -0.809910D+00 -0.218349D+01  0.115005D+01
                61            62            63            64            65 
      1  -0.332535D+01 -0.172305D+00 -0.655228D+00  0.103035D+02 -0.130926D+01
      2  -0.172305D+00 -0.162227D+01  0.122578D+01 -0.130926D+01 -0.105062D+01
      3  -0.655228D+00  0.122578D+01  0.647217D+00  0.515105D+01 -0.540655D+00
                66            67            68            69            70 
      1   0.515105D+01 -0.409306D+01 -0.683658D+00 -0.168579D+01  0.447492D+01
      2  -0.540655D+00 -0.683658D+00 -0.480055D+00  0.161977D+01  0.429754D-02
      3   0.270406D+01 -0.168579D+01  0.161977D+01 -0.712944D+00  0.247591D+01
                71            72            73            74            75 
      1   0.429754D-02  0.247591D+01 -0.105407D+02 -0.789816D+00 -0.523278D+01
      2   0.128222D+01 -0.199787D+00 -0.789816D+00  0.112311D+01 -0.387226D+00
      3  -0.199787D+00 -0.124371D+01 -0.523278D+01 -0.387226D+00 -0.272239D+01
                76            77            78            79            80 
      1  -0.358520D+01  0.869240D+00 -0.153137D+01 -0.447629D+01  0.136225D+00
      2   0.869240D+00 -0.593558D+00 -0.152889D+01  0.136225D+00 -0.128954D+01
      3  -0.153137D+01 -0.152889D+01 -0.593897D+00 -0.248629D+01 -0.995360D-01
                81            82            83            84            85 
      1  -0.248629D+01 -0.104029D+00  0.174571D+01  0.707020D+00  0.292117D+01
      2  -0.995360D-01  0.174571D+01  0.206947D+01 -0.138784D+01  0.443983D+01
      3   0.124582D+01  0.707020D+00 -0.138784D+01  0.155604D+01 -0.199896D+01
                86            87            88            89            90 
      1   0.443983D+01 -0.199896D+01  0.325137D-01 -0.134449D+01  0.225562D+01
      2   0.850672D+01 -0.529005D+01 -0.134449D+01 -0.368351D+01  0.122796D+01
      3  -0.529005D+01  0.160804D+01  0.225562D+01  0.122796D+01  0.339319D+00
                91            92            93            94            95 
      1  -0.110002D+01 -0.529307D+00 -0.241295D+01 -0.887882D+00 -0.171742D+01
      2  -0.529307D+00 -0.836244D+00  0.622931D+00 -0.171742D+01 -0.369512D+01
      3  -0.241295D+01  0.622931D+00 -0.156434D+01  0.509730D+00  0.430718D+01
                96            97            98            99           100 
      1   0.509730D+00 -0.307852D+01  0.111469D+01 -0.218652D+01  0.104729D+02
      2   0.430718D+01  0.111469D+01  0.589375D+01 -0.198190D+01 -0.195802D+01
      3  -0.104912D+01 -0.218652D+01 -0.198190D+01  0.113689D+00  0.303597D+01
               101           102           103           104           105 
      1  -0.195802D+01  0.303597D+01  0.919796D-01  0.111691D+01  0.311812D+00
      2   0.133340D+01 -0.443813D+00  0.111691D+01 -0.858628D+00  0.740102D+00
      3  -0.443813D+00  0.205482D+01  0.311812D+00  0.740102D+00 -0.206096D+00
               106           107           108           109           110 
      1   0.295279D+01 -0.527133D+00  0.248356D+01 -0.574861D+00 -0.807167D+00
      2  -0.527133D+00  0.627792D+00 -0.728180D+00 -0.807167D+00 -0.140807D+01
      3   0.248356D+01 -0.728180D+00  0.161684D+01  0.969607D+00  0.515066D+00
               111           112           113           114           115 
      1   0.969607D+00 -0.886323D+00 -0.234567D+00  0.150102D+00  0.116562D+01
      2   0.515066D+00 -0.234567D+00 -0.451176D+01  0.212236D+01 -0.222923D+00
      3  -0.835145D+00  0.150102D+00  0.212236D+01 -0.216790D+01  0.914066D-02
               116           117           118           119           120 
      1  -0.222923D+00  0.914066D-02  0.358076D+01 -0.244912D+01 -0.116320D+01
      2   0.190086D+01 -0.180395D+01 -0.244912D+01  0.252131D+01  0.533618D+00
      3  -0.180395D+01  0.224271D+01 -0.116320D+01  0.533618D+00  0.103143D+01
               121           122           123           124           125 
      1  -0.368527D+01  0.434627D+01  0.130532D+01 -0.141318D+01  0.116575D+01
      2   0.434627D+01 -0.681550D+01 -0.239209D+01  0.116575D+01 -0.194869D+01
      3   0.130532D+01 -0.239209D+01 -0.166136D+01  0.164591D+01 -0.176196D+01
               126           127           128           129           130 
      1   0.164591D+01  0.323965D+01  0.999628D+00 -0.162952D+01  0.211487D+01
      2  -0.176196D+01  0.999628D+00  0.112119D+01 -0.446608D+00  0.148791D+01
      3  -0.137816D+01 -0.162952D+01 -0.446608D+00  0.149969D+01 -0.798223D+00
               131           132           133           134           135 
      1   0.148791D+01 -0.798223D+00 -0.195485D+01 -0.138689D+00  0.155413D+01
      2   0.199460D+01 -0.141136D+01 -0.138689D+00 -0.117673D+01  0.808510D+00
      3  -0.141136D+01  0.165412D+01  0.155413D+01  0.808510D+00 -0.215215D+01
               136           137           138           139           140 
      1  -0.397819D+01 -0.259528D+01  0.124795D+01 -0.390071D+01 -0.436272D+01
      2  -0.259528D+01 -0.259892D+01  0.582394D+00 -0.436272D+01 -0.631986D+01
      3   0.124795D+01  0.582394D+00 -0.109812D+01  0.135920D+01  0.231747D+01
               141           142           143           144           145 
      1   0.135920D+01  0.150272D+01  0.117366D+01 -0.172104D+01 -0.306546D+01
      2   0.231747D+01  0.117366D+01  0.184651D+01 -0.169246D+01  0.101631D+01
      3  -0.161744D+01 -0.172104D+01 -0.169246D+01  0.137943D+01  0.156570D+01
               146           147           148           149           150 
      1   0.101631D+01  0.156570D+01  0.214058D+01 -0.153522D+01 -0.812357D+00
      2  -0.113642D+01 -0.463260D+00 -0.153522D+01  0.218175D+01  0.146487D+01
      3  -0.463260D+00 -0.143321D+01 -0.812357D+00  0.146487D+01  0.172530D+01
               151           152           153           154           155 
      1   0.193596D+01 -0.165898D+00 -0.151576D+01 -0.106390D+02 -0.161354D+01
      2  -0.165898D+00  0.119290D+01  0.870911D+00 -0.161354D+01 -0.120981D+01
      3  -0.151576D+01  0.870911D+00  0.213668D+01 -0.304665D+01 -0.344956D+00
               156           157           158           159           160 
      1  -0.304665D+01  0.430216D+00 -0.110033D+01  0.409882D+00 -0.298494D+01
      2  -0.344956D+00 -0.110033D+01 -0.723001D+00 -0.739032D+00 -0.417163D+00
      3  -0.206320D+01  0.409882D+00 -0.739032D+00 -0.115890D+00 -0.251763D+01
               161           162           163           164           165 
      1  -0.417163D+00 -0.251763D+01  0.450598D+00 -0.762246D+00 -0.939740D+00
      2  -0.582949D+00 -0.620966D+00 -0.762246D+00  0.131485D+01  0.481530D+00
      3  -0.620966D+00 -0.161786D+01 -0.939740D+00  0.481530D+00  0.757291D+00
               166           167           168           169           170 
      1  -0.901411D+00  0.120438D+00  0.103850D+00 -0.118342D+01 -0.247432D+00
      2   0.120438D+00 -0.458461D+01 -0.214722D+01 -0.247432D+00 -0.188614D+01
      3   0.103850D+00 -0.214722D+01 -0.220275D+01 -0.795006D-01 -0.180249D+01
               171           172           173           174           175 
      1  -0.795006D-01 -0.207099D+01  0.173888D+01  0.246321D+00  0.347152D+01
      2  -0.180249D+01  0.173888D+01 -0.216333D+01  0.435290D+00 -0.136759D+01
      3  -0.223489D+01  0.246321D+00  0.435290D+00 -0.327846D+00  0.138864D+01
               176           177           178           179           180 
      1  -0.136759D+01  0.138864D+01  0.184193D+01  0.558575D+00  0.377102D+00
      2   0.328687D+01 -0.151735D+00  0.558575D+00  0.118973D+00  0.735397D+00
      3  -0.151735D+00  0.117261D+01  0.377102D+00  0.735397D+00 -0.162907D+00
               181           182           183           184           185 
      1   0.181117D+01  0.422411D+00  0.398116D+00 -0.785134D-01 -0.680781D+00
      2   0.422411D+00 -0.619694D+00  0.804096D-01 -0.680781D+00  0.864875D-01
      3   0.398116D+00  0.804096D-01  0.773996D+00  0.349494D-01 -0.782330D+00
               186           187           188           189           190 
      1   0.349494D-01 -0.171194D+01 -0.203476D+00 -0.126213D+01  0.137703D+01
      2  -0.782330D+00 -0.203476D+00 -0.993434D+00  0.607025D+00  0.150170D-01
      3   0.142742D+00 -0.126213D+01  0.607025D+00 -0.693326D+01 -0.679528D+00
               191           192           193           194           195 
      1   0.150170D-01 -0.679528D+00 -0.176397D+01  0.953504D+00 -0.123243D+00
      2   0.210408D+01 -0.107060D+01  0.953504D+00 -0.564055D+01  0.795634D+00
      3  -0.107060D+01  0.737336D+00 -0.123243D+00  0.795634D+00 -0.972217D+00
               196           197           198           199           200 
      1  -0.999062D+00 -0.103877D+01  0.731639D+00 -0.324814D+00  0.345338D+00
      2  -0.103877D+01 -0.729551D+00 -0.154597D+00  0.345338D+00  0.825797D+00
      3   0.731639D+00 -0.154597D+00  0.279635D+00  0.406176D+00 -0.429616D+00
               201           202           203           204           205 
      1   0.406176D+00  0.720114D+00  0.129676D+01 -0.555847D+00  0.135495D+01
      2  -0.429616D+00  0.129676D+01  0.348098D+00  0.218563D-01  0.438374D+00
      3   0.329325D+00 -0.555847D+00  0.218563D-01  0.636114D+00 -0.312723D+00
               206           207           208           209           210 
      1   0.438374D+00 -0.312723D+00 -0.137566D+01 -0.655513D-01  0.624793D+00
      2   0.129412D+01 -0.130419D+01 -0.655513D-01 -0.233402D+01 -0.112886D+01
      3  -0.130419D+01  0.685482D+01  0.624793D+00 -0.112886D+01 -0.779577D+00
               211           212           213           214           215 
      1  -0.178456D+01 -0.111692D+01 -0.181571D+00  0.913631D+00 -0.104873D+01
      2  -0.111692D+01 -0.544693D+01 -0.734292D+00 -0.104873D+01  0.833619D+00
      3  -0.181571D+00 -0.734292D+00 -0.937876D+00 -0.741623D+00 -0.117500D+00
               216           217           218           219           220 
      1  -0.741623D+00  0.376855D+00  0.236272D+00 -0.450209D+00  0.586870D+00
      2  -0.117500D+00  0.236272D+00 -0.834284D+00 -0.411386D+00 -0.132139D+01
      3  -0.277559D+00 -0.450209D+00 -0.411386D+00 -0.303160D+00 -0.536205D+00
               221           222           223           224           225 
      1  -0.132139D+01 -0.536205D+00 -0.131946D+01  0.440960D+00  0.252894D+00
      2   0.501138D+00  0.207966D-01  0.440960D+00 -0.133734D+01 -0.132455D+01
      3   0.207966D-01  0.640463D+00  0.252894D+00 -0.132455D+01 -0.685033D+01
               226           227           228           229           230 
      1   0.234546D+01  0.179676D+01 -0.179115D+00  0.347861D+01  0.125907D+01
      2   0.179676D+01  0.213667D+01  0.454236D+00  0.125907D+01  0.313471D+01
      3  -0.179115D+00  0.454236D+00  0.368994D+00  0.140665D+01  0.532632D-01
               231           232           233           234           235 
      1   0.140665D+01 -0.178522D+01  0.635354D+00 -0.347218D+00 -0.175972D+01
      2   0.532632D-01  0.635354D+00 -0.180947D+00  0.754535D+00  0.555551D+00
      3   0.116311D+01 -0.347218D+00  0.754535D+00  0.158376D+00 -0.387612D+00
               236           237           238           239           240 
      1   0.555551D+00 -0.387612D+00  0.536312D-01  0.663231D+00  0.816366D-01
      2   0.580018D+00  0.130903D+00  0.663231D+00  0.283198D-02  0.775048D+00
      3   0.130903D+00 -0.767369D+00  0.816366D-01  0.775048D+00  0.177446D+00
               241           242           243           244           245 
      1   0.169098D+01 -0.235106D+00  0.128489D+01  0.103595D+01 -0.479278D+00
      2  -0.235106D+00  0.101284D+01  0.553535D+00 -0.479278D+00  0.724280D+00
      3   0.128489D+01  0.553535D+00  0.693018D+01  0.245312D+01  0.306755D+00
               246           247           248           249           250 
      1   0.245312D+01 -0.770036D+00  0.160500D+01  0.211328D+00  0.316228D+01
      2   0.306755D+00  0.160500D+01 -0.384014D+01 -0.433654D+01  0.716198D+00
      3   0.152478D+01  0.211328D+00 -0.433654D+01 -0.110391D+01  0.210122D+01
               251           252           253           254           255 
      1   0.716198D+00  0.210122D+01  0.365082D+00  0.144724D+01 -0.858282D+00
      2  -0.599887D+01 -0.209989D+01  0.144724D+01 -0.183012D+01 -0.110461D+01
      3  -0.209989D+01 -0.103208D+00 -0.858282D+00 -0.110461D+01 -0.147233D+01
               256           257           258           259           260 
      1   0.250923D+01 -0.422574D+01 -0.171329D+01 -0.163907D+00 -0.117140D+01
      2  -0.422574D+01  0.894363D+01  0.539206D+01 -0.117140D+01  0.377515D+01
      3  -0.171329D+01  0.539206D+01  0.165607D+01 -0.219358D+01  0.133240D+01
               261           262           263           264           265 
      1  -0.219358D+01  0.518394D+01  0.623957D+00 -0.243733D+01 -0.281240D-01
      2   0.133240D+01  0.623957D+00  0.227229D+01 -0.524601D+00  0.842813D-01
      3  -0.351823D+00 -0.243733D+01 -0.524601D+00  0.188078D+01  0.478219D+00
               266           267           268           269           270 
      1   0.842813D-01  0.478219D+00 -0.167856D+01  0.284499D+00  0.110350D+01
      2  -0.129462D+01  0.777972D+00  0.284499D+00  0.659628D+00 -0.902850D-01
      3   0.777972D+00 -0.408311D+00  0.110350D+01 -0.902850D-01 -0.174260D+01
               271           272           273           274           275 
      1  -0.468044D+00 -0.575329D+00 -0.699509D+00  0.667013D-01 -0.981652D+00
      2  -0.575329D+00 -0.240597D+01  0.113069D+01 -0.981652D+00 -0.320313D+00
      3  -0.699509D+00  0.113069D+01 -0.195060D+01  0.482881D+00 -0.100032D+00
               276           277           278           279           280 
      1   0.482881D+00 -0.986021D+00 -0.763490D-02 -0.545859D+00  0.415802D+01
      2  -0.100032D+00 -0.763490D-02 -0.137139D+01  0.119255D+01  0.116445D+01
      3   0.444411D+00 -0.545859D+00  0.119255D+01 -0.551257D+01  0.166792D+01
               281           282           283           284           285 
      1   0.116445D+01  0.166792D+01  0.539287D+00  0.125292D+01  0.115274D+00
      2   0.213211D+01  0.388413D+00  0.125292D+01  0.965645D+00  0.384017D+00
      3   0.388413D+00  0.146667D+01  0.115274D+00  0.384017D+00  0.275086D+00
               286           287           288           289           290 
      1   0.265350D+01  0.451866D+00  0.180617D+01  0.964327D+00  0.177948D+01
      2   0.451866D+00  0.923732D+00  0.972287D+00  0.177948D+01  0.125613D+01
      3   0.180617D+01  0.972287D+00  0.227769D+01 -0.413097D+00 -0.560940D+00
               291           292           293           294           295 
      1  -0.413097D+00  0.148359D+01  0.162519D+01 -0.590426D+00 -0.404755D+00
      2  -0.560940D+00  0.162519D+01  0.887017D+01 -0.288913D+01 -0.122659D+01
      3   0.486550D+00 -0.590426D+00 -0.288913D+01  0.196288D+01  0.101344D+01
               296           297           298           299           300 
      1  -0.122659D+01  0.101344D+01 -0.747826D+00  0.170377D+01  0.376826D+00
      2  -0.483631D+01  0.314732D+01  0.170377D+01 -0.101478D+01 -0.450360D+00
      3   0.314732D+01 -0.261335D+01  0.376826D+00 -0.450360D+00 -0.399443D+00
               301           302           303           304           305 
      1   0.138490D+01 -0.136494D+01 -0.477442D+00  0.306547D+00 -0.102523D+01
      2  -0.136494D+01  0.905315D+01  0.293474D+01 -0.102523D+01  0.496406D+01
      3  -0.477442D+00  0.293474D+01  0.197734D+01 -0.871815D+00  0.319605D+01
               306           307           308           309           310 
      1  -0.871815D+00 -0.404115D+01  0.120859D+01 -0.164982D+01  0.617833D+00
      2   0.319605D+01  0.120859D+01 -0.216413D+01  0.464208D+00 -0.126733D+01
      3   0.261227D+01 -0.164982D+01  0.464208D+00 -0.145910D+01  0.175879D+00
               311           312           313           314           315 
      1  -0.126733D+01  0.175879D+00 -0.261047D+01  0.537746D+00 -0.176436D+01
      2   0.118495D+01 -0.394345D+00  0.537746D+00 -0.944849D+00  0.106028D+01
      3  -0.394345D+00  0.338602D+00 -0.176436D+01  0.106028D+01 -0.228103D+01
               316           317           318           319           320 
      1  -0.510130D+01  0.764280D+00  0.242510D+01  0.213006D+00 -0.161162D+00
      2   0.764280D+00 -0.238158D+01 -0.675103D+00 -0.161162D+00 -0.114513D+01
      3   0.242510D+01 -0.675103D+00 -0.189679D+01  0.321562D+00 -0.765851D+00
               321           322           323           324           325 
      1   0.321562D+00  0.170678D+01  0.164522D+00 -0.111608D+01  0.428631D+00
      2  -0.765851D+00  0.164522D+00 -0.675753D+00 -0.327293D-01 -0.439365D+00
      3  -0.315190D+00 -0.111608D+01 -0.327293D-01  0.174911D+01  0.776817D+00
               326           327           328           329           330 
      1  -0.439365D+00  0.776817D+00  0.137008D+00  0.972702D+00  0.449486D+00
      2   0.241923D+01  0.109020D+01  0.972702D+00 -0.498917D+00  0.417322D-01
      3   0.109020D+01  0.195904D+01  0.449486D+00  0.417322D-01  0.361808D+00
               331           332           333 
      1   0.990951D+00  0.923194D-02  0.601656D+00
      2   0.923194D-02  0.136791D+01  0.115926D+01
      3   0.601656D+00  0.115926D+01  0.550872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383897D+00  0.246514D+01 -0.266674D+01  0.376919D+01  0.566364D+01
      2   0.751976D+00 -0.109608D+01  0.917312D+01 -0.187523D+01 -0.123733D+02
      3  -0.408381D+01 -0.106657D+02 -0.157965D+01 -0.740206D+01  0.532609D+01
                 6             7             8             9            10 
      1  -0.186515D+01 -0.937384D+00  0.620424D-01 -0.198330D+01 -0.482601D+01
      2  -0.404161D+01  0.272838D+01 -0.174564D+00  0.164290D+01  0.109240D+02
      3   0.858097D+01 -0.310454D+00  0.944887D+01  0.431042D+01  0.542009D+01
                11            12            13            14            15 
      1   0.415530D+01  0.103841D+00  0.394889D+01 -0.113470D+01 -0.745375D+01
      2  -0.266918D+01  0.356538D+01 -0.422709D+01  0.987449D-01  0.602185D+01
      3   0.789022D+01  0.674600D+01  0.105663D+02 -0.572076D+01 -0.576752D+01
                16            17            18            19            20 
      1  -0.120439D+01 -0.184302D+01  0.359218D+00 -0.111415D+01 -0.446943D+00
      2   0.127727D+01  0.216737D+01 -0.210074D+01 -0.181756D+02 -0.126945D+02
      3   0.799722D+01 -0.569539D+01 -0.408451D+01 -0.226580D+02 -0.201308D+02
                21            22            23            24            25 
      1   0.781942D+01  0.924798D+01  0.260494D+02 -0.600715D+01  0.174698D+02
      2   0.416453D+01 -0.448452D+01  0.297640D+01 -0.494350D+01 -0.127373D+02
      3   0.975892D+01  0.599479D+01  0.235267D+02 -0.761871D+01  0.509645D+01
                26            27            28            29            30 
      1   0.218965D+02 -0.250071D+02 -0.219241D-01 -0.328871D+01  0.587806D-01
      2  -0.128899D+02  0.131538D+02 -0.334966D+01  0.174688D+00 -0.105221D+02
      3  -0.542550D+00 -0.139279D+01 -0.167442D+00  0.149032D+02 -0.840821D-01
                31            32            33            34            35 
      1  -0.145163D+01  0.973437D-01  0.119751D+02  0.291684D-01 -0.172104D+02
      2   0.683193D-01  0.555581D+00 -0.154638D-01  0.190624D+02  0.104600D-01
      3  -0.184142D+02  0.242294D-01  0.966810D+00 -0.825916D-01  0.778824D+00
                36            37            38            39            40 
      1   0.957097D-01  0.613762D+00 -0.990811D+00 -0.780556D+01  0.829892D+01
      2  -0.150583D+00 -0.175178D+02  0.136185D+02  0.472548D+01  0.509482D+01
      3  -0.409950D-01  0.220360D+02 -0.221019D+02 -0.100396D+02  0.390767D+01
                41            42            43            44            45 
      1  -0.262497D+02 -0.539123D+01 -0.169639D+02  0.232627D+02  0.255391D+02
      2   0.323512D+01  0.496207D+01 -0.114086D+02  0.124081D+02  0.120223D+02
      3  -0.227134D+02 -0.711427D+01 -0.510871D+01 -0.277097D+00  0.136956D+01
                46            47            48            49            50 
      1   0.568043D+01  0.398045D+01 -0.268250D+00  0.391622D+01  0.768943D+00
      2   0.110452D+02  0.190597D+01  0.333637D+01  0.354839D+01 -0.188102D+00
      3  -0.464628D+01  0.823453D+01 -0.691190D+01  0.110074D+02  0.486946D+01
                51            52            53            54            55 
      1  -0.769591D+01  0.119846D+01 -0.203765D+01 -0.432314D+00 -0.106059D+00
      2  -0.581327D+01  0.117401D+01 -0.222083D+01 -0.203240D+01  0.878220D+00
      3  -0.547293D+01 -0.824328D+01 -0.531253D+01  0.415197D+01  0.338054D+01
                56            57            58            59            60 
      1   0.225094D+01  0.298391D+01  0.362464D+01 -0.650882D+01 -0.182582D+01
      2   0.517879D+00  0.918992D+01  0.122081D+01 -0.122427D+02  0.370557D+01
      3  -0.109425D+02  0.187165D+01 -0.782947D+01 -0.438670D+01  0.848331D+01
                61            62            63            64            65 
      1   0.105960D+01  0.252028D-01  0.202560D+01 -0.413186D+01 -0.108910D+02
      2   0.272022D+01  0.353617D-01  0.154392D+01  0.260219D+02 -0.173687D+01
      3   0.711513D+00  0.937960D+01 -0.430204D+01  0.614504D+01  0.102503D+02
                66            67            68            69            70 
      1  -0.291781D+01 -0.226818D+02  0.371320D+01 -0.107870D+02 -0.109027D+01
      2   0.231339D+01  0.433584D+01  0.480757D+01  0.463542D+01 -0.322514D+02
      3   0.184514D+01  0.354749D+02 -0.428713D+01  0.124925D+02 -0.238112D+01
                71            72            73            74            75 
      1   0.113785D+01  0.928230D+00  0.367770D+01 -0.111585D+02  0.248025D+01
      2   0.383088D+01 -0.288790D+02  0.258342D+02  0.131145D+01  0.199966D+01
      3   0.545300D+01 -0.102404D+01 -0.397850D+01  0.107173D+02 -0.123572D+01
                76            77            78            79            80 
      1  -0.231545D+02 -0.202368D+01 -0.111006D+02 -0.280187D+00  0.966300D+00
      2  -0.421909D+01  0.506860D+01 -0.423705D+01 -0.323247D+02 -0.249545D+01
      3   0.358237D+02  0.228122D+01  0.125339D+02  0.264104D+01  0.533986D+01
                81            82            83            84            85 
      1  -0.218658D+01 -0.319388D+01  0.423539D+01  0.199552D+01  0.625967D+01
      2  -0.287975D+02 -0.176309D+02 -0.176720D+02  0.142753D+02 -0.592957D+01
      3   0.105214D+01 -0.219465D+02 -0.255018D+02  0.157872D+02 -0.293370D-01
                86            87            88            89            90 
      1   0.215606D+02 -0.809026D-03  0.108422D+02  0.271075D+02 -0.168595D+02
      2   0.197772D+01 -0.583972D+01 -0.483868D+01 -0.180247D+02  0.142905D+02
      3   0.187615D+02 -0.475785D+01  0.709514D+01 -0.381153D+01  0.413357D+01
                91            92            93            94            95 
      1   0.914679D+01  0.338962D+01  0.601192D+01  0.426358D+01 -0.115503D+02
      2  -0.221669D+01  0.810513D+00  0.176963D-01 -0.221955D+00  0.217689D+01
      3  -0.537647D+01 -0.144526D+01 -0.733289D+01  0.367420D+01 -0.675728D+00
                96            97            98            99           100 
      1  -0.435729D+01  0.439202D+01 -0.335479D+01  0.287902D+01  0.162313D+01
      2  -0.437773D+00 -0.330799D+01  0.443828D+00 -0.564690D+00 -0.285833D+01
      3  -0.675956D+01 -0.117153D+02 -0.766658D+01 -0.518719D+01 -0.920569D+01
               101           102           103           104           105 
      1   0.175152D+01  0.306838D+01 -0.254098D+00  0.117649D+01 -0.104850D+01
      2   0.142358D+01  0.476053D+01 -0.202002D+01  0.184109D+01 -0.147414D+01
      3  -0.360408D+01 -0.365582D+01 -0.861062D+00 -0.495271D+00 -0.173682D+01
               106           107           108           109           110 
      1   0.212661D+01  0.107054D+01  0.139801D+01  0.133019D+01 -0.139023D+01
      2   0.214707D+01 -0.495678D+00  0.253491D+01  0.517284D+01  0.223216D+01
      3  -0.148069D+01 -0.269901D+01 -0.116001D+01  0.545188D+01  0.557368D+01
               111           112           113           114           115 
      1  -0.188328D+01 -0.180212D+00 -0.143689D+01 -0.293751D+01 -0.312225D+00
      2  -0.345048D+01  0.126655D+01  0.658381D+01 -0.625695D+01 -0.309661D+01
      3  -0.346527D+01  0.444013D+01  0.131514D+02 -0.652562D+01 -0.169536D+01
               116           117           118           119           120 
      1  -0.540044D-01  0.218121D+01 -0.715264D+00 -0.190058D+00  0.197852D+01
      2  -0.503556D+01  0.600809D+01 -0.122864D+01  0.846602D+00  0.360050D+01
      3  -0.531282D+01  0.573082D+01  0.640907D+00 -0.385531D+01 -0.145423D+00
               121           122           123           124           125 
      1  -0.238522D+01  0.264125D+01 -0.247033D+01  0.111616D+01 -0.329642D+00
      2  -0.242553D+01 -0.102585D+01 -0.374318D+01  0.751905D+00 -0.276895D+01
      3  -0.106166D+01  0.968294D+01  0.393816D+01  0.150219D+01  0.258955D+01
               126           127           128           129           130 
      1  -0.135859D+01 -0.420674D+01 -0.169164D+01  0.261051D+01 -0.284425D+01
      2  -0.209629D+01 -0.190959D+01  0.245566D+00  0.347443D+01  0.785155D+00
      3   0.118616D+01 -0.756252D+01 -0.622215D+01  0.414299D+01 -0.699955D+01
               131           132           133           134           135 
      1  -0.568132D+01  0.370375D+01  0.267471D+01  0.440879D+01 -0.423383D+01
      2  -0.331467D+01  0.541881D+01  0.138503D+01  0.274677D+01 -0.491984D+01
      3  -0.111467D+02  0.603468D+01  0.389566D+01  0.440664D+01 -0.578101D+01
               136           137           138           139           140 
      1   0.525658D+00 -0.400559D+00 -0.191720D+01 -0.242426D+01 -0.254793D+01
      2  -0.115026D+01 -0.793667D+00  0.383281D+01  0.253387D+01 -0.995859D+00
      3  -0.835271D+00 -0.425210D+01  0.296237D+00 -0.147448D+01 -0.943133D+01
               141           142           143           144           145 
      1  -0.221492D+01 -0.112230D+01 -0.186732D+00  0.126253D+01  0.391430D+01
      2   0.367942D+01  0.959389D+00  0.279312D+01 -0.215596D+01 -0.209049D+01
      3   0.394684D+01 -0.137344D+01  0.270815D+01 -0.120209D+01  0.696931D+01
               146           147           148           149           150 
      1  -0.166632D+01 -0.232879D+01 -0.280100D+01  0.578180D+01  0.357037D+01
      2  -0.178626D+00  0.338960D+01 -0.731112D+00 -0.353962D+01 -0.574437D+01
      3  -0.611935D+01 -0.391859D+01 -0.685569D+01  0.117706D+02  0.621604D+01
               151           152           153           154           155 
      1  -0.241572D+01  0.440114D+01  0.399722D+01 -0.167628D+01  0.171833D+01
      2   0.138210D+01 -0.300315D+01 -0.503391D+01 -0.277160D+01 -0.131733D+01
      3  -0.368983D+01  0.457489D+01  0.577477D+01  0.902042D+01 -0.394827D+01
               156           157           158           159           160 
      1  -0.290900D+01 -0.934664D-01 -0.111532D+01 -0.852865D+00 -0.201640D+01
      2   0.496144D+01  0.215929D+01  0.181859D+01  0.130724D+01  0.231189D+01
      3   0.360093D+01 -0.130013D+01  0.624832D+00 -0.190375D+01  0.139806D+01
               161           162           163           164           165 
      1   0.116714D+01 -0.128894D+01 -0.115607D+01 -0.137330D+01  0.163407D+01
      2   0.378180D+00  0.259649D+01  0.504378D+01 -0.217390D+01 -0.329673D+01
      3  -0.275332D+01  0.116712D+01 -0.500668D+01  0.533477D+01  0.323632D+01
               166           167           168           169           170 
      1  -0.114928D+00  0.177580D+01 -0.275099D+01  0.199856D+00  0.166551D+00
      2  -0.123793D+01  0.668802D+01  0.653365D+01 -0.291216D+01  0.517831D+01
      3   0.416664D+01 -0.136213D+02 -0.669501D+01  0.148032D+01 -0.541935D+01
               171           172           173           174           175 
      1  -0.189931D+01 -0.169413D+01  0.250627D+01 -0.136945D+00  0.490923D+01
      2   0.608893D+01 -0.905741D+00  0.163262D+01  0.220508D+01  0.602991D+01
      3  -0.576197D+01  0.233358D+01 -0.430903D+01  0.230873D+00 -0.487373D+01
               176           177           178           179           180 
      1  -0.691319D+01  0.570585D+00  0.226836D+01 -0.588774D+00 -0.629494D-01
      2  -0.158262D+01  0.623068D+00  0.402576D+01 -0.128281D+01  0.939610D+00
      3   0.978990D+01 -0.186233D+01 -0.187483D+01  0.212965D+01  0.516683D-01
               181           182           183           184           185 
      1  -0.210889D+01 -0.103666D+01 -0.110602D+01 -0.343461D+00 -0.517031D+00
      2  -0.215519D+01  0.396985D+00 -0.455500D+01 -0.806888D+00  0.207496D+01
      3   0.159369D+01  0.349051D-01  0.655229D+00  0.116613D+01  0.390701D+00
               186           187           188           189           190 
      1   0.613611D+00  0.793724D+00  0.252617D+01 -0.690112D+00  0.128164D+01
      2  -0.407049D+00  0.673137D+00 -0.203540D+01  0.153272D+02 -0.250465D+01
      3  -0.158056D+01 -0.100905D+01 -0.219300D+01  0.164911D+01 -0.243616D+01
               191           192           193           194           195 
      1   0.585096D+01 -0.159639D+01  0.120046D+01 -0.678682D+01 -0.109170D+01
      2   0.221921D+01  0.816909D-01  0.272482D+01 -0.322629D+01  0.140443D+01
      3   0.582646D+01 -0.223307D+01  0.562347D+01 -0.873758D+01  0.145886D+01
               196           197           198           199           200 
      1  -0.940161D+00 -0.414576D+01  0.233085D+00 -0.368468D+00 -0.244746D+01
      2  -0.539082D+00  0.401560D+00 -0.483770D+00 -0.146217D+01  0.780128D+00
      3   0.217509D+00 -0.235568D+01 -0.257167D+00 -0.120484D+01 -0.151457D+01
               201           202           203           204           205 
      1   0.192326D+01 -0.218522D+01 -0.131101D+01  0.385913D+01 -0.484731D+00
      2  -0.125564D+01 -0.228581D+00 -0.424007D+00 -0.103379D+01 -0.262396D+01
      3  -0.939295D+00 -0.289078D+00 -0.892133D+00  0.148989D+01 -0.241239D+01
               206           207           208           209           210 
      1  -0.108574D+01  0.124726D+02 -0.106888D+01  0.603750D+01  0.150821D+01
      2   0.140003D+01 -0.888317D+01 -0.247861D+01 -0.246638D+01 -0.303925D-01
      3   0.207832D+00 -0.135761D+01  0.273112D+01  0.601948D+01  0.225643D+01
               211           212           213           214           215 
      1   0.143494D+01  0.630767D+01 -0.124663D+01  0.723096D+00 -0.421066D+01
      2  -0.278599D+01 -0.327210D+01 -0.134365D+01 -0.571352D+00 -0.186729D+00
      3   0.586504D+01  0.821520D+01  0.133571D+01 -0.350000D+00 -0.234928D+01
               216           217           218           219           220 
      1  -0.259060D+00  0.985531D-01 -0.242863D+01 -0.180345D+01 -0.210808D+01
      2  -0.467949D+00 -0.148987D+01 -0.631131D+00 -0.113804D+01  0.366853D+00
      3   0.263064D+00  0.112085D+01 -0.150994D+01  0.101601D+01 -0.276221D+00
               221           222           223           224           225 
      1   0.147370D+01  0.395728D+01  0.323004D+00 -0.118595D+01 -0.128434D+02
      2  -0.468846D+00  0.898871D+00 -0.270095D+01 -0.124449D+01 -0.832453D+01
      3   0.941185D+00  0.143550D+01  0.242817D+01  0.104522D+00  0.136797D+01
               226           227           228           229           230 
      1   0.197757D+01  0.260462D+01  0.262745D+00  0.480439D+01  0.667741D+01
      2  -0.130226D+01 -0.177158D+01  0.216923D+01 -0.622040D+01 -0.155584D+01
      3  -0.275942D+01 -0.456792D+01 -0.321458D+00 -0.511426D+01 -0.958027D+01
               231           232           233           234           235 
      1   0.472265D+00 -0.209991D+01 -0.468832D+00  0.118953D+00  0.197584D+01
      2  -0.741344D+00  0.416045D+01  0.112308D+01  0.931679D+00 -0.223760D+01
      3  -0.177917D+01  0.195013D+01  0.207964D+01 -0.662326D-01 -0.157272D+01
               236           237           238           239           240 
      1  -0.110936D+01  0.934575D+00 -0.366585D+00  0.664735D+00  0.595300D+00
      2  -0.178313D+00 -0.458490D+01  0.995495D+00  0.202635D+01  0.576950D+00
      3   0.927083D-01 -0.735412D+00  0.120912D+01 -0.450017D+00 -0.155017D+01
               241           242           243           244           245 
      1  -0.655818D+00  0.263815D+01  0.135073D+01 -0.886765D+01  0.435755D+01
      2   0.790751D+00  0.189750D+01  0.152737D+02 -0.185443D+01 -0.758751D+00
      3   0.915611D+00 -0.223256D+01 -0.164707D+01  0.549811D+01 -0.166393D+01
               246           247           248           249           250 
      1  -0.621835D+01  0.518540D+01  0.111300D+02 -0.413492D+01 -0.468741D+01
      2   0.309906D+00  0.186558D+00  0.170065D+01  0.584439D+00 -0.313209D+01
      3   0.700086D+01  0.354070D+01  0.634771D+00 -0.708579D+01  0.113630D+02
               251           252           253           254           255 
      1  -0.316457D+01 -0.296483D+01  0.288709D+01  0.392081D+01 -0.134753D+01
      2  -0.155344D+00 -0.460826D+00 -0.166387D+02  0.182978D+02  0.145482D+02
      3  -0.823612D+01  0.518270D+01  0.206774D+02 -0.272440D+02 -0.159547D+02
               256           257           258           259           260 
      1   0.543049D+01 -0.219074D+02  0.305252D+00 -0.977792D+01  0.282538D+02
      2   0.650014D+01  0.191365D+01  0.521149D+01 -0.357839D+01  0.169375D+02
      3  -0.178155D+01 -0.176479D+02 -0.406539D+01 -0.725235D+01 -0.353207D+01
               261           262           263           264           265 
      1   0.174364D+02  0.506236D+01 -0.243509D+01 -0.386510D+01 -0.183539D+01
      2   0.134753D+02  0.708215D+01  0.959510D+00 -0.154314D+01 -0.291884D+01
      3  -0.410459D+01  0.121498D+02 -0.193991D+01 -0.553271D+01 -0.397198D+01
               266           267           268           269           270 
      1   0.211917D+01  0.144784D+00 -0.302833D+01  0.162781D+01  0.246766D+01
      2  -0.188103D+01  0.114987D+01 -0.523620D+00  0.294251D+00  0.554621D+00
      3   0.338779D+00  0.245553D+01 -0.199438D+01  0.434126D+00  0.290980D+01
               271           272           273           274           275 
      1   0.593068D+00 -0.533082D+00  0.430304D+01 -0.994374D+00 -0.401368D+00
      2  -0.610786D+00  0.440779D+01 -0.538596D+01  0.195555D+01  0.190277D+01
      3  -0.765155D-01  0.328464D+01 -0.354691D+01  0.242960D+01  0.182586D+01
               276           277           278           279           280 
      1   0.368423D-01  0.746977D+00  0.333778D+00  0.887753D+01 -0.679100D+01
      2  -0.889872D+00 -0.248975D+01  0.207188D+01 -0.763815D+01  0.256978D+01
      3  -0.288302D+00 -0.117124D+01  0.203581D+01 -0.229906D+01  0.138926D+02
               281           282           283           284           285 
      1  -0.120700D+01 -0.537211D+01 -0.418842D+00 -0.129408D+01 -0.911651D+00
      2   0.546220D+00  0.349136D+01  0.133835D+00  0.731864D+00  0.114149D-01
      3  -0.896089D+00  0.599221D+01 -0.109031D+00  0.451952D+01 -0.409770D+00
               286           287           288           289           290 
      1  -0.646255D+01 -0.110489D+01 -0.897705D+01  0.276161D-01  0.146669D+00
      2   0.138543D+01  0.139330D+01  0.341139D+01  0.240506D+00  0.456691D+00
      3   0.957855D+01 -0.526067D+00  0.513674D+01  0.174523D+01  0.353842D+01
               291           292           293           294           295 
      1  -0.158166D+01  0.194577D+01  0.456765D+01 -0.705580D+01 -0.150670D+01
      2   0.730145D+00  0.226964D+00 -0.166486D+01  0.162097D+01 -0.810124D+00
      3  -0.100042D+01  0.512288D+01 -0.225011D+01 -0.840459D-02 -0.841392D+00
               296           297           298           299           300 
      1  -0.234391D+01  0.698246D+01  0.187991D-01 -0.927739D-01  0.129838D+01
      2   0.158898D+01 -0.179888D+01  0.206306D+00 -0.548838D+00  0.587459D+00
      3   0.349607D+01  0.239894D+00 -0.137207D+01  0.372066D+01  0.104726D+01
               301           302           303           304           305 
      1   0.171629D+01 -0.469311D+01 -0.714945D+01  0.135721D+01 -0.245583D+01
      2  -0.385051D+00 -0.141673D+01 -0.133018D+01 -0.945922D+00 -0.144807D+01
      3   0.527110D+01  0.187389D+01 -0.422309D-01  0.100717D+01  0.350162D+01
               306           307           308           309           310 
      1  -0.703799D+01  0.681318D+01 -0.158782D+01  0.548301D+01 -0.731910D+00
      2  -0.148746D+01  0.223390D+01 -0.581417D+00  0.326344D+01 -0.178298D+00
      3  -0.225822D+00 -0.139242D+02 -0.362223D+00 -0.597983D+01  0.403875D+00
               311           312           313           314           315 
      1   0.129194D+01 -0.117568D+01  0.645373D+01 -0.152493D+01  0.912664D+01
      2   0.695184D+00 -0.963759D-01  0.104313D+01 -0.138763D+01  0.302443D+01
      3  -0.439546D+01 -0.746079D-01 -0.957142D+01  0.177340D-02 -0.513173D+01
               316           317           318           319           320 
      1  -0.488624D+01 -0.232421D+01  0.377777D+01 -0.153213D+01 -0.196183D+01
      2   0.735557D+01 -0.126109D+01 -0.174129D+01  0.256520D+01 -0.185819D+01
      3  -0.122998D+02 -0.134024D+01  0.560440D+01 -0.332898D+01 -0.263637D-01
               321           322           323           324           325 
      1  -0.102187D+00  0.305943D+01  0.145335D+01 -0.244919D+01 -0.698057D+00
      2  -0.105028D+01 -0.693109D+00 -0.296303D+00  0.676591D+00 -0.837960D+00
      3   0.215335D+01  0.201689D+01  0.282304D+00 -0.293819D+01  0.310439D+00
               326           327           328           329           330 
      1  -0.680874D+00 -0.451193D+01 -0.103763D+01  0.573445D+00  0.291172D+00
      2  -0.425385D+01 -0.513067D+01 -0.180226D+01  0.215707D+01  0.109404D+01
      3   0.319695D+01  0.352342D+01  0.234020D+01 -0.209496D+01 -0.437777D+00
               331           332           333 
      1  -0.851893D+00  0.309558D+00 -0.919720D+01
      2  -0.254792D+01 -0.195046D+01 -0.720631D+01
      3   0.126316D+01  0.196222D+01  0.228660D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412049D+02 -0.708005D+01 -0.233575D+02 -0.258544D+01  0.185455D+02
      2   0.266159D+02  0.901623D+01  0.134093D+02  0.558294D+01 -0.103102D+02
      3   0.145890D+02 -0.193618D+01  0.994824D+01 -0.299750D+01 -0.823527D+01
      4  -0.148013D+02  0.920650D+01 -0.718798D+01  0.110098D+02  0.450434D+01
      5  -0.262088D+02 -0.123559D+01 -0.593192D+01  0.422734D+01 -0.844370D+01
      6  -0.696129D+01  0.596666D+01  0.408310D+00  0.413605D+01 -0.100180D+02
                 6             7             8             9            10 
      1   0.842695D+01 -0.198724D+02  0.591684D+01 -0.615954D+00  0.937743D+01
      2  -0.102863D+02  0.117870D+02 -0.785084D+01 -0.336363D+01 -0.647335D+01
      3   0.185939D+01  0.808545D+01  0.193399D+01  0.397959D+01 -0.290409D+01
      4  -0.800027D+01 -0.477904D+01 -0.657166D+01 -0.423531D+01 -0.289825D+00
      5  -0.475613D+01 -0.697115D+01 -0.386592D+01  0.410654D+01  0.109750D+02
      6  -0.100768D+02  0.173821D+00 -0.761166D+01  0.520530D+00  0.758055D+01
                11            12            13            14            15 
      1   0.336930D+01  0.129717D+02  0.239626D+01 -0.160791D+02 -0.370402D+01
      2  -0.117670D+02 -0.530471D+01 -0.125181D+02  0.356184D+01  0.106523D+02
      3   0.839773D+01 -0.766700D+01  0.101219D+02  0.125173D+02 -0.694833D+01
      4  -0.218461D+02  0.601520D+01 -0.270469D+02 -0.232135D+02  0.185645D+02
      5  -0.529370D+00 -0.950493D+01  0.126185D+01  0.214535D+02  0.376311D+01
      6   0.473305D+01 -0.109845D+01  0.103283D+02  0.123479D+02 -0.384524D+01
                16            17            18            19            20 
      1   0.954698D+01 -0.425929D+01 -0.542516D+01  0.609372D+00  0.200499D+01
      2  -0.319583D+01  0.974827D+01  0.244862D+01 -0.436288D+01  0.284411D+01
      3  -0.635115D+01 -0.548898D+01  0.297654D+01  0.375351D+01 -0.484911D+01
      4   0.556951D+01  0.150742D+02  0.614011D+00  0.581245D+01  0.141789D+02
      5  -0.807271D+01  0.229130D+01 -0.363808D+01 -0.353889D+01 -0.242544D+01
      6  -0.195295D+01 -0.455814D+01 -0.354040D+01 -0.786342D+01 -0.665537D+01
                21            22            23            24            25 
      1  -0.645671D+01 -0.124475D+01  0.134571D+02 -0.340586D+00 -0.146448D+01
      2   0.441900D+01  0.392526D+01 -0.161190D+02  0.238784D+01  0.193715D+01
      3   0.203771D+01 -0.268052D+01  0.266194D+01 -0.204726D+01 -0.472669D+00
      4  -0.864471D+01  0.937451D+01  0.863406D+01 -0.542033D+01 -0.524455D+01
      5   0.628348D+01 -0.110272D+01 -0.707577D+01  0.276250D+01  0.543936D+01
      6   0.259301D+01 -0.706925D+01 -0.124147D+01  0.657190D+01  0.105580D+01
                26            27            28            29            30 
      1  -0.151353D+01  0.935170D+01 -0.124916D+02  0.886164D-01  0.526293D+01
      2   0.153544D+01  0.394967D+01  0.367334D+01 -0.686874D-01 -0.631798D+01
      3  -0.219110D-01 -0.133014D+02  0.881828D+01 -0.199290D-01  0.105504D+01
      4  -0.272148D+01  0.160041D+01  0.952994D-01 -0.734706D+01 -0.389372D+00
      5   0.398747D+00  0.503396D+01  0.336240D+01 -0.252100D+00 -0.427150D+01
      6   0.439512D+01  0.480940D+01 -0.237053D+00 -0.362843D+01 -0.720234D-03
                31            32            33            34            35 
      1   0.187972D-01  0.403398D+01 -0.414310D+00  0.800304D+01 -0.559111D+00
      2   0.451529D-02 -0.118300D+02  0.446328D+00 -0.886292D+01  0.568465D+00
      3  -0.233125D-01  0.779601D+01 -0.320176D-01  0.859881D+00 -0.935410D-02
      4  -0.873442D+01 -0.140126D-01 -0.678186D+01 -0.544327D+00 -0.896654D+01
      5  -0.213471D+00 -0.411045D+01 -0.597318D-02  0.306735D+01 -0.732198D-02
      6  -0.372961D+01  0.275686D+00 -0.441545D+01 -0.190581D-02  0.218352D+01
                36            37            38            39            40 
      1   0.109130D+01  0.215757D+00 -0.232764D+00 -0.565777D+01  0.263022D+01
      2   0.115750D+01 -0.428695D+01 -0.452341D+01  0.357318D+01 -0.522137D+01
      3  -0.224880D+01  0.407119D+01  0.475617D+01  0.208460D+01  0.259115D+01
      4   0.117777D-01 -0.487198D+01  0.138517D+02  0.880493D+01  0.880594D+01
      5   0.910563D+00 -0.297810D+01  0.193505D+01  0.605215D+01  0.593586D+00
      6  -0.135429D-01  0.737418D+01 -0.696852D+01 -0.257222D+01 -0.731595D+01
                41            42            43            44            45 
      1   0.125066D+02  0.105014D+00 -0.946888D+00  0.132132D+01  0.921848D+01
      2  -0.148685D+02 -0.201938D+01  0.142142D+01 -0.130568D+01  0.407560D+01
      3   0.236197D+01  0.191437D+01 -0.474530D+00 -0.156455D-01 -0.132941D+02
      4  -0.108099D+02 -0.587916D+01  0.528533D+01 -0.308663D+01 -0.181504D+01
      5  -0.710594D+01 -0.270604D+01  0.540052D+01 -0.421481D+00  0.480863D+01
      6   0.217934D+01  0.679416D+01 -0.109233D+01  0.444937D+01 -0.505853D+01
                46            47            48            49            50 
      1   0.891153D+01 -0.621759D+01  0.126238D+02 -0.560212D+01 -0.134953D+02
      2  -0.517320D+01  0.137897D+02 -0.526006D+01  0.150441D+02  0.238488D+00
      3  -0.373834D+01 -0.757210D+01 -0.736375D+01 -0.944202D+01  0.132568D+02
      4  -0.251503D+01 -0.197205D+02 -0.605884D+01 -0.250955D+02  0.259035D+02
      5   0.106647D+02  0.112675D+01 -0.960816D+01 -0.413158D+00  0.208380D+02
      6  -0.739110D+01  0.441028D+01  0.137074D+01  0.101042D+02 -0.138731D+02
                51            52            53            54            55 
      1   0.470079D+01  0.935323D+01  0.506088D+01 -0.551842D+01 -0.390221D+02
      2  -0.119845D+02 -0.319519D+01 -0.108578D+02  0.257079D+01  0.243622D+02
      3   0.728373D+01 -0.615803D+01  0.579695D+01  0.294763D+01  0.146599D+02
      4   0.181160D+02 -0.556104D+01  0.146755D+02 -0.329611D+00  0.183404D+02
      5  -0.350143D+01 -0.815142D+01 -0.219776D+01 -0.338407D+01 -0.258248D+02
      6  -0.373989D+01  0.212021D+01 -0.450462D+01  0.369702D+01  0.844931D+01
                56            57            58            59            60 
      1   0.100853D+02 -0.228653D+02  0.579666D+01  0.175539D+02 -0.809704D+01
      2  -0.110447D+02  0.130499D+02 -0.791766D+01 -0.907425D+01  0.103822D+02
      3   0.959408D+00  0.981534D+01  0.212099D+01 -0.847968D+01 -0.228512D+01
      4   0.734395D+01  0.842703D+01  0.969911D+01 -0.660462D+01 -0.754162D+01
      5   0.228124D+01 -0.574711D+01 -0.328439D+01 -0.792951D+01  0.458149D+01
      6   0.584466D+01 -0.521065D+00  0.440036D+01  0.990177D+01 -0.102745D+02
                61            62            63            64            65 
      1  -0.195931D+02 -0.556187D+01 -0.170357D+00  0.114672D+02 -0.597601D+01
      2   0.115963D+02  0.786048D+01 -0.375615D+01 -0.107933D+02  0.574659D+01
      3   0.799682D+01 -0.229862D+01  0.392650D+01 -0.673947D+00  0.229428D+00
      4   0.588581D+01 -0.623227D+01  0.406696D+01 -0.183552D+02 -0.497457D+01
      5  -0.674128D+01  0.383437D+01  0.406260D+01  0.117206D+02 -0.498434D+01
      6  -0.217953D+00 -0.776735D+01 -0.690871D+00 -0.316750D+01 -0.455705D+01
                66            67            68            69            70 
      1   0.639857D+01 -0.101989D+02 -0.966052D+01 -0.302402D+01  0.404832D+01
      2  -0.704367D+01  0.753527D+01  0.248708D+01  0.134609D+01 -0.385358D+01
      3   0.645099D+00  0.266359D+01  0.717344D+01  0.167793D+01 -0.194736D+00
      4  -0.818359D+01 -0.119846D+00 -0.349572D+01  0.619989D+01 -0.469401D+01
      5   0.927560D+01 -0.533999D+01  0.187487D+01 -0.179291D+01  0.559652D+01
      6  -0.152414D+01 -0.276251D+01 -0.203469D+01  0.439275D+01 -0.922320D+00
                71            72            73            74            75 
      1  -0.153392D+01  0.759874D+01  0.136187D+02  0.456496D+01  0.724531D+01
      2   0.293529D+01  0.649731D+01 -0.128501D+02 -0.466924D+01 -0.777974D+01
      3  -0.140137D+01 -0.140960D+02 -0.768543D+00  0.104276D+00  0.534431D+00
      4   0.231645D+01 -0.423960D+01  0.170612D+02 -0.605381D+01  0.784680D+01
      5  -0.167487D+01 -0.678927D+01  0.122874D+02  0.436967D+01  0.939183D+01
      6   0.429721D+01  0.670891D+00  0.235754D+01 -0.477787D+01  0.131691D+01
                76            77            78            79            80 
      1   0.925250D+01 -0.999319D+01  0.326298D+01  0.459083D+01  0.155112D+01
      2  -0.689091D+01  0.272123D+01 -0.153530D+01 -0.443160D+01 -0.295689D+01
      3  -0.236159D+01  0.727196D+01 -0.172769D+01 -0.159231D+00  0.140576D+01
      4  -0.145861D+01  0.432938D+01  0.565870D+01  0.443142D+01  0.192278D+01
      5   0.480481D+01  0.154524D+01  0.158668D+01  0.576119D+01  0.165030D+01
      6  -0.299365D+01  0.231604D+01  0.426179D+01  0.880525D+00  0.417905D+01
                81            82            83            84            85 
      1   0.801338D+01 -0.578554D+01 -0.313853D+01  0.101503D+02 -0.551773D+01
      2   0.611775D+01  0.875437D+01  0.310395D+01 -0.323119D+01  0.904362D+01
      3  -0.141311D+02 -0.296884D+01  0.345798D-01 -0.691916D+01 -0.352590D+01
      4   0.419944D+01 -0.597856D+01  0.265124D+01  0.514457D+01  0.309786D+01
      5  -0.681672D+01  0.881593D+01 -0.163509D+01 -0.107416D+01 -0.146995D+01
      6  -0.382396D+00  0.524216D+01 -0.471961D+01  0.501669D+01 -0.336313D+01
                86            87            88            89            90 
      1  -0.172531D+02  0.903309D+01  0.728935D+01  0.540770D+01  0.244117D+01
      2   0.171259D+02 -0.162391D+02 -0.592745D+00 -0.906841D+01  0.421147D+01
      3   0.127134D+00  0.720597D+01 -0.669661D+01  0.366071D+01 -0.665264D+01
      4   0.459058D+01 -0.356980D+01  0.635129D+01 -0.307387D+01  0.301801D+01
      5  -0.749821D+01  0.193370D+01 -0.584018D-01  0.805586D+00 -0.214474D+01
      6  -0.129430D+02  0.641181D+01  0.394562D+01  0.288972D+01  0.582919D+01
                91            92            93            94            95 
      1  -0.210320D+01  0.312124D+01 -0.686994D+01  0.565322D+01  0.149587D+02
      2  -0.150366D+00 -0.529311D+01  0.453563D+01 -0.107357D+02 -0.201700D+02
      3   0.225356D+01  0.217187D+01  0.233432D+01  0.508251D+01  0.521129D+01
      4  -0.576325D+01 -0.388389D+01 -0.129455D+02 -0.505622D+01 -0.108376D+02
      5  -0.572642D+01 -0.965254D+00 -0.360842D+01 -0.971947D+00  0.665839D+01
      6  -0.131541D+02  0.380250D+01 -0.867998D+01  0.398822D+01  0.285974D+02
                96            97            98            99           100 
      1  -0.151116D+02 -0.952319D+01 -0.198062D+02  0.308743D+01  0.687087D+02
      2   0.282129D+02  0.735086D+01  0.317812D+02 -0.707660D+01 -0.372546D+02
      3  -0.131014D+02  0.217232D+01 -0.119750D+02  0.398918D+01 -0.314541D+02
      4   0.559902D+01 -0.145732D+02  0.841399D+01 -0.119725D+02 -0.300456D+02
      5  -0.101947D+01 -0.535934D+01 -0.420794D+01 -0.115926D+00  0.310483D+02
      6  -0.104095D+02 -0.119287D+02 -0.137937D+02  0.183355D+01 -0.900799D+01
               101           102           103           104           105 
      1  -0.907753D+01  0.184464D+02  0.176307D+01  0.597445D+01  0.227205D+01
      2   0.235192D+01 -0.125643D+02 -0.470510D+01 -0.197328D+01 -0.354208D+01
      3   0.672561D+01 -0.588219D+01  0.294203D+01 -0.400117D+01  0.127003D+01
      4   0.128795D+02 -0.823703D+01  0.109255D+02 -0.562427D+01  0.441070D+01
      5  -0.456383D+01  0.178079D+02  0.652462D+00  0.560687D+01 -0.531723D+00
      6   0.306594D+01 -0.605625D+01  0.303317D+01 -0.326446D+01  0.380306D+01
               106           107           108           109           110 
      1   0.146225D+02 -0.680939D+00  0.112710D+02 -0.317727D+01 -0.929904D+01
      2  -0.119533D+02 -0.584054D+00 -0.928090D+01  0.303077D+01  0.865618D+01
      3  -0.266922D+01  0.126499D+01 -0.199012D+01  0.146501D+00  0.642860D+00
      4  -0.794667D+01  0.445929D+01 -0.705614D+01 -0.343311D-01 -0.909494D+00
      5   0.209162D+02 -0.407763D+01  0.134992D+02  0.294083D+01 -0.784434D+00
      6  -0.715682D+01  0.442010D+01 -0.471573D+01 -0.519421D+01 -0.562569D+01
               111           112           113           114           115 
      1   0.873523D+01 -0.534570D+01 -0.193183D+02  0.100941D+02  0.567289D+01
      2  -0.467489D+01  0.351263D+01  0.244537D+02 -0.918810D+01 -0.250392D+01
      3  -0.406035D+01  0.183306D+01 -0.513544D+01 -0.905988D+00 -0.316897D+01
      4  -0.209250D+01  0.427931D+01 -0.146301D+02  0.679109D+01 -0.450376D+01
      5  -0.659224D+00 -0.179106D+01  0.691679D+01 -0.858498D+01  0.309693D+01
      6   0.499197D+01 -0.675691D+00 -0.181813D+02  0.142647D+02  0.446071D+00
               116           117           118           119           120 
      1   0.772528D+01 -0.100328D+02  0.146621D+02 -0.953257D+01 -0.521144D+01
      2  -0.587936D+01  0.491181D+01 -0.366371D+00 -0.296973D+01  0.135879D+01
      3  -0.184593D+01  0.512098D+01 -0.142958D+02  0.125023D+02  0.385264D+01
      4   0.686739D+01 -0.543608D+01 -0.243417D+02  0.228212D+02  0.751477D+01
      5  -0.676368D+01  0.794454D+01 -0.109075D+02  0.707972D+01  0.859760D+01
      6   0.131219D+02 -0.133805D+02  0.724317D+01 -0.552257D+01 -0.445224D+01
               121           122           123           124           125 
      1  -0.791709D+01 -0.861546D+00 -0.189543D+01 -0.356412D+01 -0.179293D+01
      2  -0.894505D+01  0.245147D+02  0.676396D+01  0.100551D+01  0.388168D+01
      3   0.168621D+02 -0.236532D+02 -0.486853D+01  0.255861D+01 -0.208875D+01
      4   0.319589D+02 -0.446370D+02 -0.148692D+02  0.875055D+01 -0.120213D+02
      5   0.965687D+01 -0.151173D+02 -0.100009D+02  0.115236D+02 -0.108252D+02
      6  -0.101307D+02  0.180154D+02  0.114886D+02 -0.793655D+01  0.122602D+02
               126           127           128           129           130 
      1   0.732628D+00  0.231176D+02  0.759226D+01 -0.983865D+01  0.155077D+02
      2   0.167178D+01 -0.166008D+02 -0.674815D+01  0.823098D+01 -0.132004D+02
      3  -0.240441D+01 -0.651689D+01 -0.844119D+00  0.160767D+01 -0.230738D+01
      4  -0.117378D+02  0.189738D+01  0.655672D+01 -0.439842D-01  0.705504D+01
      5  -0.883218D+01 -0.152836D+02 -0.392785D+01  0.123698D+02 -0.876142D+01
      6   0.859708D+01  0.830005D+00 -0.184503D+01 -0.189879D+01 -0.289049D+01
               131           132           133           134           135 
      1   0.921500D+01 -0.517572D+01 -0.939681D+01 -0.142561D+01  0.654353D+01
      2  -0.858153D+01  0.853137D+01  0.905542D+01  0.493541D+01 -0.109418D+02
      3  -0.633469D+00 -0.335565D+01  0.341398D+00 -0.350981D+01  0.439828D+01
      4   0.882386D+01 -0.732693D+01  0.164698D+01 -0.611550D+01  0.286102D+01
      5  -0.102615D+02  0.113251D+02  0.134135D+02  0.582427D+01 -0.151185D+02
      6  -0.180069D+01  0.506249D+00 -0.153452D+01  0.234424D+01  0.122073D+01
               136           137           138           139           140 
      1   0.177528D+02  0.109037D+02 -0.584813D+01  0.100548D+02  0.216908D+01
      2  -0.210587D+01  0.201194D+01  0.178021D+01  0.715252D+01  0.201714D+02
      3  -0.156469D+02 -0.129156D+02  0.406792D+01 -0.172073D+02 -0.223404D+02
      4   0.260966D+02  0.234001D+02 -0.785541D+01  0.327590D+02  0.431570D+02
      5  -0.120106D+02 -0.748395D+01  0.921466D+01 -0.102780D+02 -0.151740D+02
      6  -0.744425D+01 -0.565515D+01  0.453747D+01 -0.101585D+02 -0.166921D+02
               141           142           143           144           145 
      1   0.838064D+00 -0.423060D+01  0.995655D+00  0.174853D+01  0.219332D+02
      2  -0.554822D+01  0.164080D+01 -0.294708D+01  0.664190D+00 -0.155124D+02
      3   0.471016D+01  0.258980D+01  0.195143D+01 -0.241272D+01 -0.642078D+01
      4  -0.149115D+02 -0.895726D+01 -0.118241D+02  0.117626D+02 -0.292601D+01
      5   0.101155D+02  0.123315D+02  0.108346D+02 -0.921018D+01 -0.147032D+02
      6   0.108755D+02  0.792525D+01  0.114612D+02 -0.822102D+01 -0.383995D+00
               146           147           148           149           150 
      1  -0.758364D+01 -0.956115D+01 -0.155375D+02  0.941510D+01  0.497047D+01
      2   0.655599D+01  0.784446D+01  0.129520D+02 -0.858070D+01 -0.823710D+01
      3   0.102766D+01  0.171669D+01  0.258557D+01 -0.834396D+00  0.326663D+01
      4   0.700830D+01  0.558914D+00  0.799941D+01 -0.102001D+02 -0.792452D+01
      5   0.409327D+01  0.119671D+02  0.887705D+01 -0.107428D+02 -0.118623D+02
      6  -0.191644D+01  0.140456D+01 -0.315321D+01  0.246900D+01  0.921381D+00
               151           152           153           154           155 
      1  -0.942067D+01  0.128750D+01  0.626698D+01  0.715415D+02  0.743234D+01
      2   0.892856D+01 -0.478863D+01 -0.106194D+02 -0.396393D+02 -0.188067D+01
      3   0.492115D+00  0.350113D+01  0.435244D+01 -0.319023D+02 -0.555167D+01
      4  -0.112973D+01 -0.635802D+01 -0.359502D+01  0.264469D+02  0.114386D+02
      5   0.131768D+02 -0.627898D+01 -0.150639D+02  0.316403D+02  0.359389D+01
      6   0.106687D+01  0.257134D+01 -0.533918D+00  0.794571D+01  0.265352D+01
               156           157           158           159           160 
      1   0.190656D+02 -0.349571D+01  0.620659D+01 -0.270907D+01  0.152580D+02
      2  -0.131113D+02  0.532385D+01 -0.251336D+01  0.371818D+01 -0.125716D+02
      3  -0.595422D+01 -0.182814D+01 -0.369323D+01 -0.100911D+01 -0.268638D+01
      4   0.708348D+01  0.103696D+02  0.439652D+01  0.434866D+01  0.689888D+01
      5   0.181053D+02 -0.161975D+01  0.561717D+01 -0.870682D-01  0.213957D+02
      6   0.544451D+01  0.287184D+01  0.280375D+01  0.354004D+01  0.643057D+01
               161           162           163           164           165 
      1   0.364655D+00  0.118759D+02 -0.247260D+01  0.863877D+01  0.853186D+01
      2   0.756074D+00 -0.987304D+01  0.246294D+01 -0.780144D+01 -0.452048D+01
      3  -0.112073D+01 -0.200281D+01  0.965386D-02 -0.837326D+00 -0.401138D+01
      4   0.410771D+01  0.616193D+01  0.475889D+00 -0.110828D+01  0.176888D+01
      5   0.334477D+01  0.137125D+02  0.328263D+01  0.667556D+00 -0.552346D+00
      6   0.396203D+01  0.413492D+01  0.478786D+01 -0.523604D+01 -0.445446D+01
               166           167           168           169           170 
      1   0.509619D+01 -0.186293D+02 -0.986411D+01  0.575176D+01 -0.741246D+01
      2  -0.303784D+01  0.236452D+02  0.877906D+01 -0.265877D+01  0.543205D+01
      3  -0.205835D+01 -0.501587D+01  0.108505D+01 -0.309299D+01  0.198040D+01
      4   0.456586D+01  0.163012D+02  0.749888D+01  0.442054D+01  0.723804D+01
      5   0.194099D+01  0.756068D+01  0.921815D+01  0.335007D+01  0.716082D+01
      6  -0.230042D+00  0.181130D+02  0.140836D+02 -0.695723D-01  0.128534D+02
               171           172           173           174           175 
      1  -0.956621D+01  0.118380D+02 -0.623895D+01  0.942375D-02 -0.110711D+02
      2   0.445555D+01 -0.401115D+01  0.269835D+01 -0.270998D+00  0.615732D+01
      3   0.511066D+01 -0.782685D+01  0.354060D+01  0.261574D+00  0.491380D+01
      4   0.603457D+01 -0.107560D+02  0.108328D+02 -0.235715D+01  0.886458D+01
      5   0.845223D+01  0.285509D+01 -0.310186D+01  0.264124D+01 -0.819920D+01
      6   0.130006D+02 -0.278763D+01  0.361919D+01 -0.143791D+01  0.418396D+01
               176           177           178           179           180 
      1   0.462585D+01 -0.227498D+01 -0.612827D+01  0.911650D+00 -0.112563D+01
      2   0.601573D+00  0.369232D+01  0.331915D+01  0.939288D+00 -0.583413D+00
      3  -0.522743D+01 -0.141733D+01  0.280912D+01 -0.185094D+01  0.170904D+01
      4  -0.170266D+02  0.167995D+01 -0.242494D+01 -0.202119D+01 -0.394395D+01
      5   0.309672D+01 -0.562069D+01 -0.214275D+00 -0.323218D+01  0.477572D+00
      6  -0.653471D+01  0.187142D+01 -0.122498D+01  0.800941D+00 -0.175802D+01
               181           182           183           184           185 
      1  -0.416571D+01 -0.301176D+00  0.284454D+01  0.233899D+00 -0.103609D+01
      2   0.156313D+01 -0.303245D+00  0.182409D+01 -0.816333D-01 -0.199850D+01
      3   0.260258D+01  0.604421D+00 -0.466863D+01 -0.152266D+00  0.303459D+01
      4  -0.310024D+01  0.401181D+00 -0.703186D+00  0.312418D+01 -0.179426D+00
      5  -0.165109D+01 -0.534433D+00  0.551851D+00 -0.468051D+00  0.302306D+01
      6   0.958449D-01  0.843237D+00 -0.116211D+00  0.163034D+01 -0.243427D+00
               186           187           188           189           190 
      1  -0.337793D-01  0.261576D+01  0.174243D+01 -0.163922D+02 -0.439124D+01
      2   0.756978D+00 -0.580416D+01  0.163106D+01 -0.183265D+02  0.608414D+01
      3  -0.723199D+00  0.318840D+01 -0.337349D+01  0.347186D+02 -0.169290D+01
      4   0.330365D+01  0.105185D+01  0.413293D+01 -0.331577D+01 -0.441218D+01
      5  -0.667930D+00  0.810744D+01 -0.209578D+01  0.222127D+02  0.284984D+01
      6   0.518910D+01  0.295653D+00  0.357117D+01  0.745812D+00  0.189735D+00
               191           192           193           194           195 
      1   0.615099D+01 -0.165801D+01  0.646578D+01 -0.194070D+02  0.418242D+01
      2  -0.773987D+01  0.940908D+00 -0.638920D+01  0.299827D+02 -0.338207D+01
      3   0.158887D+01  0.717098D+00 -0.765838D-01 -0.105757D+02 -0.800343D+00
      4   0.571227D+00  0.182425D+01  0.577296D+01  0.167597D+01 -0.359658D+00
      5  -0.414991D+00 -0.963003D+00 -0.285313D+01  0.184291D+01  0.827216D+00
      6   0.641354D+01 -0.307527D+01  0.170350D+01 -0.111255D+02  0.597757D+01
               196           197           198           199           200 
      1   0.151935D+01  0.117498D+01 -0.450117D+01 -0.444334D+00  0.133589D+01
      2  -0.130077D+01  0.217807D+01  0.258233D+01 -0.249689D+01 -0.106973D+01
      3  -0.218578D+00 -0.335305D+01  0.191884D+01  0.294122D+01 -0.266168D+00
      4   0.326544D+01  0.385691D+01 -0.172852D+01  0.778996D-01 -0.856979D+00
      5  -0.121152D+01 -0.218558D+00  0.824525D+00 -0.189935D+01  0.248713D+00
      6  -0.228537D+01  0.252886D+01 -0.179451D+01 -0.387924D+00  0.216226D+01
               201           202           203           204           205 
      1  -0.327242D+01 -0.131412D+01 -0.390089D+01  0.439541D+00 -0.283794D+01
      2   0.919522D+00  0.106484D+01  0.128269D+01 -0.431186D+01  0.246143D+01
      3   0.235289D+01  0.249274D+00  0.261819D+01  0.387232D+01  0.376511D+00
      4  -0.886282D+00 -0.231035D+01 -0.352381D+01  0.292364D+00 -0.374380D+01
      5   0.370167D+01  0.103064D+01  0.665972D+00 -0.215024D+01  0.421898D+01
      6  -0.177409D+01  0.208106D+01 -0.560138D+00  0.213441D+01  0.900732D+00
               206           207           208           209           210 
      1   0.464949D+01 -0.199897D+02 -0.473531D+01 -0.673928D+01 -0.199361D+01
      2  -0.595605D+00 -0.139757D+02  0.645793D+01  0.869170D+01  0.123734D+01
      3  -0.405389D+01  0.339654D+02 -0.172263D+01 -0.195243D+01  0.756274D+00
      4  -0.280369D+01 -0.415766D+00  0.491693D+01  0.966406D+00 -0.170646D+01
      5   0.296270D+01 -0.137624D+02  0.285625D+01  0.661505D+00 -0.867962D+00
      6   0.732413D+01 -0.178841D+02  0.717782D-01  0.684579D+01  0.337185D+01
               211           212           213           214           215 
      1  -0.661846D+01 -0.188753D+02 -0.408198D+01  0.117780D+01 -0.851719D+00
      2   0.692776D+01  0.293681D+02  0.330928D+01 -0.111144D+01 -0.251710D+01
      3  -0.309300D+00 -0.104928D+02  0.772696D+00 -0.663637D-01  0.336882D+01
      4   0.608690D+01  0.165346D+00  0.375352D-01 -0.323142D+01  0.395656D+01
      5   0.288079D+01  0.216713D+01 -0.530305D+00 -0.111983D+01  0.382221D+00
      6   0.204494D+01  0.105987D+02  0.584498D+01  0.245647D+01  0.238483D+01
               216           217           218           219           220 
      1  -0.433232D+01 -0.494694D+00 -0.153789D+01 -0.320526D+01  0.976590D+00
      2   0.241560D+01 -0.245689D+01  0.128371D+01  0.101802D+01 -0.711880D+00
      3   0.191672D+01  0.295158D+01  0.254184D+00  0.218724D+01 -0.264710D+00
      4   0.204567D+01 -0.288783D+00 -0.578495D+00  0.109224D+01 -0.222979D+01
      5   0.899485D+00 -0.191427D+01 -0.375297D-01  0.386578D+01 -0.816452D+00
      6   0.173799D+01  0.671370D+00  0.216844D+01  0.170658D+01  0.211980D+01
               221           222           223           224           225 
      1  -0.357965D+01 -0.288080D+00 -0.271859D+01 -0.479655D+01 -0.199388D+02
      2   0.967124D+00  0.421968D+01  0.214934D+01  0.735079D+00 -0.139793D+02
      3   0.261253D+01 -0.393160D+01  0.569250D+00  0.406147D+01  0.339182D+02
      4   0.387555D+01  0.461705D+00  0.385791D+01 -0.274091D+01  0.662096D+00
      5   0.738718D+00  0.205155D+01  0.405127D+01 -0.282958D+01 -0.129360D+02
      6   0.350040D+00  0.198116D+01 -0.755313D+00  0.751557D+01  0.185035D+02
               226           227           228           229           230 
      1   0.134168D+02  0.684545D+01  0.276577D+00  0.114728D+02  0.508811D+01
      2  -0.525932D+01 -0.344754D+01 -0.579929D+00 -0.674681D+01 -0.149427D+00
      3  -0.815751D+01 -0.339791D+01  0.303353D+00 -0.472601D+01 -0.493868D+01
      4   0.108348D+02  0.106196D+02  0.239426D+01  0.830488D+01  0.160457D+02
      5   0.340232D+01  0.325879D+01  0.289532D+01  0.837479D+01  0.278255D+01
      6   0.296220D+01  0.364118D+01  0.138502D+01  0.399870D+01  0.599719D+01
               231           232           233           234           235 
      1   0.244836D+01 -0.594139D+01 -0.792251D+00 -0.799213D+00 -0.386858D+01
      2  -0.388426D+01  0.307365D+01 -0.951364D+00 -0.889887D+00  0.128253D+01
      3   0.143590D+01  0.286775D+01  0.174361D+01  0.168910D+01  0.258605D+01
      4   0.129395D+01  0.273944D+01 -0.214855D+01  0.395064D+01  0.345445D+01
      5   0.559894D+01 -0.334393D-01  0.327833D+01  0.530312D+00 -0.158786D+01
      6   0.160197D+01  0.124467D+01  0.629069D+00  0.172842D+01  0.668285D-01
               236           237           238           239           240 
      1   0.453156D+00  0.292441D+01  0.154600D+00 -0.104101D+01  0.175974D+00
      2   0.129168D+00  0.171682D+01 -0.325288D+00 -0.201052D+01 -0.111678D+01
      3  -0.582324D+00 -0.464123D+01  0.170688D+00  0.305153D+01  0.940803D+00
      4   0.259030D+00  0.782821D+00  0.299126D+01 -0.121757D-01  0.323493D+01
      5   0.774341D+00  0.591431D+00  0.728647D+00  0.297280D+01  0.864402D+00
      6   0.821893D+00  0.316281D+00  0.161859D+01  0.485003D-02  0.514268D+01
               241           242           243           244           245 
      1   0.243863D+01 -0.149931D+01 -0.161096D+02 -0.198176D+01 -0.262870D+01
      2  -0.576602D+01 -0.174116D+01 -0.185972D+02  0.284930D-02  0.470253D+01
      3   0.332739D+01  0.324047D+01  0.347068D+02  0.197891D+01 -0.207383D+01
      4  -0.124108D+01  0.418194D+01  0.322123D+01  0.561526D+01 -0.339120D+01
      5   0.816165D+01  0.189975D+01  0.221310D+02 -0.503833D+01  0.161899D+01
      6  -0.495699D+00  0.350206D+01 -0.169592D+01  0.136537D+02  0.177509D+01
               246           247           248           249           250 
      1  -0.497925D+01 -0.526377D+01  0.161310D+02  0.157145D+02 -0.729573D+01
      2   0.201705D+01  0.101831D+02 -0.215525D+02 -0.286929D+02  0.460030D+01
      3   0.296220D+01 -0.491929D+01  0.542150D+01  0.129785D+02  0.269543D+01
      4   0.135646D+02 -0.403182D+01  0.946641D+01  0.304310D+01  0.155304D+02
      5  -0.322436D+01  0.159631D+01  0.524173D+01  0.657933D+00 -0.469269D+01
      6   0.840931D+01  0.204168D+01 -0.290900D+02 -0.107340D+02  0.115409D+02
               251           252           253           254           255 
      1   0.209001D+02  0.415373D+01 -0.483587D+01  0.282137D+01  0.922876D+01
      2  -0.327953D+02 -0.821853D+01  0.768900D+01 -0.294620D+01 -0.202417D+01
      3   0.118952D+02  0.406480D+01 -0.285313D+01  0.124828D+00 -0.720459D+01
      4   0.546550D+01  0.114965D+02  0.684228D+01  0.199382D+01 -0.586352D+01
      5   0.383178D+01 -0.227128D+00  0.868310D+01  0.701155D+00 -0.138926D+01
      6  -0.146430D+02 -0.177378D+01 -0.601656D+01 -0.393150D+01 -0.462062D+01
               256           257           258           259           260 
      1   0.520212D+01 -0.179079D+02 -0.964934D+01  0.648577D+01 -0.591521D+01
      2  -0.884359D+01  0.180022D+02  0.165386D+02  0.370445D+00  0.920619D+01
      3   0.364147D+01 -0.942220D-01 -0.688925D+01 -0.685622D+01 -0.329098D+01
      4   0.199961D+01 -0.317610D+01 -0.216434D+01 -0.682814D+01 -0.209161D+01
      5   0.568824D+00 -0.696838D+01 -0.154721D+01 -0.318072D+00 -0.643475D+00
      6  -0.255098D+01  0.134294D+02  0.663367D+01 -0.377578D+01  0.312453D+01
               261           262           263           264           265 
      1   0.214540D+01  0.168628D+02 -0.281500D+01 -0.527861D+01 -0.343555D+00
      2   0.453633D+01 -0.147387D+02  0.573687D+01  0.743297D+01  0.210596D+01
      3  -0.668172D+01 -0.212406D+01 -0.292187D+01 -0.215436D+01 -0.176240D+01
      4  -0.289075D+01  0.145689D+02  0.588847D+01 -0.678803D+01  0.124228D+01
      5  -0.236368D+01 -0.170927D+02 -0.240821D+01  0.104975D+02  0.234897D+01
      6  -0.578664D+01 -0.680825D+01 -0.354877D+01  0.603142D+01 -0.514086D-01
               266           267           268           269           270 
      1   0.475952D+01 -0.765802D+00 -0.353934D+01 -0.103842D+01  0.153215D+01
      2  -0.344553D+01 -0.490373D-01  0.683997D+01  0.220714D+01 -0.717812D+01
      3  -0.131399D+01  0.814839D+00 -0.330063D+01 -0.116872D+01  0.564597D+01
      4   0.224186D+00  0.435387D+00 -0.278256D+01  0.181370D-01  0.304170D+01
      5  -0.159372D+00 -0.116353D+01  0.780959D+01 -0.136958D-01 -0.718730D+01
      6   0.186855D+01 -0.413061D+00  0.325659D+01  0.104256D+01 -0.474660D+01
               271           272           273           274           275 
      1  -0.354281D+00  0.620158D+01 -0.729586D+01  0.178686D+01 -0.165982D+01
      2  -0.428672D+01 -0.640456D+01 -0.144209D+01 -0.196063D+01 -0.719625D+00
      3   0.464100D+01  0.202982D+00  0.873795D+01  0.173770D+00  0.237944D+01
      4  -0.375682D+01 -0.107918D+01 -0.329190D+01 -0.202222D+00 -0.221637D+01
      5   0.171448D+01  0.332742D+00  0.326486D+01 -0.772662D-01  0.234733D+01
      6  -0.254127D+01  0.560349D+01 -0.824926D+01  0.254688D+01 -0.236498D+01
               276           277           278           279           280 
      1   0.151009D+01 -0.249092D+01  0.583049D+01 -0.147910D+02  0.123684D+02
      2  -0.583896D+00 -0.101279D+01 -0.194722D+01 -0.121688D+02 -0.286480D+01
      3  -0.926192D+00  0.350371D+01 -0.388327D+01  0.269598D+02 -0.950362D+01
      4   0.135236D+01 -0.327994D+01 -0.754528D+00 -0.290582D+01  0.251236D+02
      5  -0.106104D+01  0.380407D+01  0.309427D+00 -0.138433D+01  0.764603D+01
      6   0.487461D+01 -0.167824D+01  0.741763D+01 -0.198289D+02  0.984450D+01
               281           282           283           284           285 
      1  -0.250101D+01  0.462233D+01 -0.339169D+01 -0.135750D+01 -0.962112D+00
      2   0.101881D+02 -0.150978D+01  0.766049D+01  0.579309D+01  0.141874D+01
      3  -0.768706D+01 -0.311255D+01 -0.426879D+01 -0.443559D+01 -0.456630D+00
      4   0.119379D+02  0.974605D+01  0.662528D+01  0.918742D+01  0.203386D+01
      5   0.165765D+01  0.638366D+01  0.692653D+00  0.190060D+01  0.716392D+00
      6   0.295963D+01  0.844088D+01  0.125669D+01  0.207067D+01  0.351097D+01
               286           287           288           289           290 
      1   0.521435D+01 -0.113349D+01  0.638492D+00 -0.354409D+01 -0.829043D+00
      2  -0.246007D+01  0.454202D+01  0.559034D+00  0.879344D+01  0.589244D+01
      3  -0.275428D+01 -0.340853D+01 -0.119753D+01 -0.524935D+01 -0.506340D+01
      4   0.153833D+02  0.594338D+01  0.105619D+02  0.784151D+01  0.156085D+02
      5   0.790275D+01  0.312491D+01  0.791788D+01 -0.152151D+01 -0.342376D+01
      6   0.109684D+02  0.810178D+01  0.136960D+02 -0.473576D+01 -0.434177D+01
               291           292           293           294           295 
      1   0.998476D+00 -0.423356D+01 -0.351979D+02  0.127148D+02  0.380207D+01
      2  -0.229218D+01  0.104617D+02  0.625433D+02 -0.200020D+02 -0.550805D+01
      3   0.129370D+01 -0.622817D+01 -0.273455D+02  0.728723D+01  0.170599D+01
      4  -0.487047D+01  0.121035D+02  0.190727D+02 -0.730706D+01 -0.540630D+01
      5   0.367499D+01 -0.193628D+01 -0.468931D+01  0.302341D+01  0.413779D+01
      6   0.349669D+01 -0.593363D+01 -0.290002D+02  0.179416D+02  0.735778D+01
               296           297           298           299           300 
      1   0.190457D+02 -0.131065D+02 -0.396855D+01  0.749081D+00  0.824823D+00
      2  -0.272126D+02  0.155235D+02  0.876089D+01 -0.481767D+01 -0.180963D+01
      3   0.816699D+01 -0.241697D+01 -0.479234D+01  0.406859D+01  0.984803D+00
      4  -0.102369D+02  0.823646D+01 -0.612400D+01  0.148930D+02  0.451377D+01
      5   0.524408D+01 -0.467938D+01 -0.111893D+01  0.314414D+01  0.342371D+01
      6   0.263961D+02 -0.215850D+02  0.445062D+01 -0.340540D+01 -0.286129D+01
               301           302           303           304           305 
      1   0.381459D+01 -0.369671D+02 -0.133323D+02  0.337023D+01 -0.201382D+02
      2  -0.902710D+01  0.647610D+02  0.206690D+02 -0.471486D+01  0.284448D+02
      3   0.521250D+01 -0.277938D+02 -0.733674D+01  0.134463D+01 -0.830665D+01
      4   0.109988D+02 -0.158069D+02 -0.601977D+01  0.461600D+01 -0.838673D+01
      5   0.156926D+01 -0.360678D+01 -0.236797D+01  0.362415D+01 -0.424007D+01
      6  -0.490246D+01  0.295914D+02  0.181611D+02 -0.634020D+01  0.269853D+02
               306           307           308           309           310 
      1  -0.138014D+02  0.104225D+02  0.285440D+01  0.376172D+01  0.333406D+01
      2   0.162408D+02 -0.141535D+01 -0.107267D+02 -0.617352D+00 -0.778329D+01
      3  -0.243941D+01 -0.900710D+01  0.787226D+01 -0.314437D+01  0.444923D+01
      4  -0.693606D+01 -0.250045D+02  0.120332D+02 -0.996398D+01  0.682167D+01
      5  -0.371548D+01  0.712689D+01 -0.183653D+01  0.598801D+01 -0.897064D+00
      6   0.217695D+02 -0.100176D+02  0.348477D+01 -0.858861D+01  0.165130D+01
               311           312           313           314           315 
      1  -0.249722D+01  0.928969D+00  0.388706D+01  0.140204D+01 -0.300483D+00
      2   0.743285D+01 -0.149977D+01 -0.127139D+01 -0.489386D+01  0.151027D+01
      3  -0.493563D+01  0.570804D+00 -0.261566D+01  0.349182D+01 -0.120978D+01
      4  -0.962884D+01  0.234308D+01 -0.154202D+02  0.633424D+01 -0.105643D+02
      5   0.184472D+01 -0.826672D+00  0.729172D+01 -0.313477D+01  0.731331D+01
      6  -0.230873D+01  0.389634D+01 -0.109530D+02  0.875160D+01 -0.140616D+02
               316           317           318           319           320 
      1   0.155741D+02  0.279201D+01 -0.458465D+01 -0.987693D-01  0.445603D+01
      2  -0.136825D+02 -0.577919D+01  0.678895D+01 -0.170299D+01 -0.296216D+01
      3  -0.189158D+01  0.298718D+01 -0.220429D+01  0.180176D+01 -0.149387D+01
      4  -0.156761D+02  0.611234D+01  0.737925D+01  0.175466D+01 -0.991030D+00
      5  -0.167148D+02  0.303847D+01  0.102580D+02 -0.154253D+01 -0.239269D+00
      6   0.743701D+01 -0.403423D+01 -0.653053D+01 -0.354850D+00 -0.159835D+01
               321           322           323           324           325 
      1   0.101602D+01 -0.321294D+01  0.118386D+01  0.123997D+01 -0.402962D+00
      2  -0.290523D+00  0.646893D+01 -0.248647D+01 -0.688919D+01 -0.422860D+01
      3  -0.725496D+00 -0.325598D+01  0.130261D+01  0.564922D+01  0.463156D+01
      4   0.822301D-01  0.329500D+01 -0.257164D+00 -0.344227D+01  0.353192D+01
      5   0.657299D+00  0.770013D+01 -0.306351D+00 -0.699957D+01  0.182843D+01
      6  -0.149258D+00 -0.359780D+01  0.122431D+01  0.509134D+01  0.284586D+01
               326           327           328           329           330 
      1  -0.628699D+01 -0.701553D+01 -0.182564D+01 -0.113549D+01 -0.110950D+01
      2   0.660657D+01 -0.172921D+01  0.209634D+01 -0.128125D+01  0.567597D+00
      3  -0.319586D+00  0.874474D+01 -0.270708D+00  0.241673D+01  0.541900D+00
      4  -0.569365D+00  0.360755D+01 -0.893053D-01  0.226669D+01  0.127425D+01
      5  -0.396563D-01  0.369541D+01  0.229946D+00  0.242659D+01  0.110115D+01
      6   0.555431D+01  0.826989D+01  0.250621D+01  0.194403D+01  0.447722D+01
               331           332           333 
      1  -0.245704D+01 -0.576029D+01 -0.144979D+02
      2  -0.122369D+01  0.206182D+01 -0.124460D+02
      3   0.368073D+01  0.369847D+01  0.269439D+02
      4   0.331237D+01 -0.552291D+00  0.301342D+01
      5   0.388079D+01 -0.150405D+00 -0.488885D+00
      6   0.184632D+01  0.732498D+01  0.198650D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 19:05:34 2021, MaxMem= 10737418240 cpu:           84325.5 elap:            5276.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -15.08867 -15.08865 -15.08842 -15.08838 -15.08835
 Alpha  occ. eigenvalues --  -15.08830 -10.88452 -10.88425 -10.88385 -10.88380
 Alpha  occ. eigenvalues --  -10.88343 -10.88337  -3.89498  -2.63002  -2.62993
 Alpha  occ. eigenvalues --   -2.62560  -1.49979  -1.48749  -1.48715  -1.45818
 Alpha  occ. eigenvalues --   -1.45793  -1.45733  -1.28221  -1.27939  -1.27934
 Alpha  occ. eigenvalues --   -1.16163  -1.15947  -1.15255  -1.08555  -1.08310
 Alpha  occ. eigenvalues --   -1.08140  -1.06948  -1.06291  -1.05759  -1.05365
 Alpha  occ. eigenvalues --   -1.05258  -1.04719  -0.98504  -0.98463  -0.97813
 Alpha  occ. eigenvalues --   -0.97088  -0.96887  -0.96855  -0.94622  -0.93525
 Alpha  occ. eigenvalues --   -0.93516  -0.89624  -0.89573  -0.88779  -0.88252
 Alpha  occ. eigenvalues --   -0.87668  -0.87205  -0.85064  -0.84987  -0.84947
 Alpha  occ. eigenvalues --   -0.83953  -0.83282  -0.83235
 Alpha virt. eigenvalues --   -0.38571  -0.38564  -0.35129  -0.34022  -0.32691
 Alpha virt. eigenvalues --   -0.32411  -0.28884  -0.28539  -0.28311  -0.27100
 Alpha virt. eigenvalues --   -0.26558  -0.24948  -0.24518  -0.23985  -0.23815
 Alpha virt. eigenvalues --   -0.23698  -0.23428  -0.22815  -0.22212  -0.21706
 Alpha virt. eigenvalues --   -0.21219  -0.19394  -0.19007  -0.18859  -0.18618
 Alpha virt. eigenvalues --   -0.18237  -0.18192  -0.17453  -0.16789  -0.16694
 Alpha virt. eigenvalues --   -0.16011  -0.15990  -0.15288  -0.14857  -0.14401
 Alpha virt. eigenvalues --   -0.13918  -0.13676  -0.13655  -0.13123  -0.12322
 Alpha virt. eigenvalues --   -0.12225  -0.12026  -0.11754  -0.11427  -0.10431
 Alpha virt. eigenvalues --   -0.10270  -0.09320  -0.08820  -0.08583  -0.08054
 Alpha virt. eigenvalues --   -0.07870  -0.06821  -0.06306  -0.06134  -0.05550
 Alpha virt. eigenvalues --   -0.05035  -0.04773  -0.04096  -0.03908  -0.03372
 Alpha virt. eigenvalues --   -0.03276  -0.02445  -0.02156  -0.01951  -0.01278
 Alpha virt. eigenvalues --   -0.00948  -0.00159   0.00261   0.00859   0.00890
 Alpha virt. eigenvalues --    0.01243   0.01763   0.02035   0.02043   0.02691
 Alpha virt. eigenvalues --    0.03111   0.03149   0.03470   0.03647   0.04224
 Alpha virt. eigenvalues --    0.04261   0.04885   0.04996   0.05424   0.05845
 Alpha virt. eigenvalues --    0.06434   0.06458   0.06699   0.07417   0.07507
 Alpha virt. eigenvalues --    0.07720   0.08074   0.08198   0.08574   0.08902
 Alpha virt. eigenvalues --    0.09579   0.10011   0.10049   0.11215   0.11265
 Alpha virt. eigenvalues --    0.11567   0.11664   0.12473   0.13130   0.13360
 Alpha virt. eigenvalues --    0.13484   0.13717   0.14772   0.14830   0.15635
 Alpha virt. eigenvalues --    0.15836   0.16259   0.16771   0.17315   0.17756
 Alpha virt. eigenvalues --    0.17873   0.17954   0.18153   0.18644   0.19054
 Alpha virt. eigenvalues --    0.19478   0.19621   0.19713   0.20594   0.20767
 Alpha virt. eigenvalues --    0.21169   0.21308   0.21425   0.21689   0.22333
 Alpha virt. eigenvalues --    0.23132   0.23296   0.23413   0.24325   0.24932
 Alpha virt. eigenvalues --    0.25476   0.25930   0.26022   0.26527   0.26756
 Alpha virt. eigenvalues --    0.27215   0.28456   0.28463   0.28976   0.29271
 Alpha virt. eigenvalues --    0.29642   0.30149   0.30811   0.31211   0.31768
 Alpha virt. eigenvalues --    0.31864   0.32999   0.33002   0.33502   0.34176
 Alpha virt. eigenvalues --    0.35422   0.35473   0.36885   0.37396   0.37455
 Alpha virt. eigenvalues --    0.37737   0.38366   0.39411   0.40351   0.40872
 Alpha virt. eigenvalues --    0.41362   0.42297   0.42514   0.43487   0.44299
 Alpha virt. eigenvalues --    0.44523   0.44929   0.45648   0.45830   0.46335
 Alpha virt. eigenvalues --    0.47989   0.48811   0.49583   0.51040   0.51266
 Alpha virt. eigenvalues --    0.52212   0.52916   0.53577   0.55789   0.56896
 Alpha virt. eigenvalues --    0.58312   0.59721   0.60412   0.61745   0.61781
 Alpha virt. eigenvalues --    0.62785   0.63820   0.64016   0.66589   0.67570
 Alpha virt. eigenvalues --    0.68410   0.68550   0.69547   0.69875   0.69952
 Alpha virt. eigenvalues --    0.70718   0.70830   0.71129   0.71790   0.73191
 Alpha virt. eigenvalues --    0.73417   0.73740   0.74100   0.74269   0.74722
 Alpha virt. eigenvalues --    0.76017   0.76414   0.76534   0.78639   0.78734
 Alpha virt. eigenvalues --    0.80982   0.82285   0.82823   0.83318   0.84134
 Alpha virt. eigenvalues --    0.84826   0.85391   0.86432   0.87530   0.88246
 Alpha virt. eigenvalues --    0.89831   0.91902   0.92937   0.94908   0.95792
 Alpha virt. eigenvalues --    0.97226   0.98278   0.99889   1.01212   1.03566
 Alpha virt. eigenvalues --    1.05751   1.08855   1.09479   1.10129   1.11005
 Alpha virt. eigenvalues --    1.11552   1.13454   1.13567   1.18648   1.19821
 Alpha virt. eigenvalues --    1.20590   1.24174   1.24712   1.25734   1.26297
 Alpha virt. eigenvalues --    1.26555   1.27291   1.29808   1.30399   1.32638
 Alpha virt. eigenvalues --    1.33093   1.33694   1.34903   1.36969   1.39524
 Alpha virt. eigenvalues --    1.39722   1.41801   1.42177   1.42510   1.43160
 Alpha virt. eigenvalues --    1.44878   1.45384   1.45761   1.49058   1.49692
 Alpha virt. eigenvalues --    1.50319   1.50606   1.52694   1.53363   1.53384
 Alpha virt. eigenvalues --    1.53893   1.54808   1.56699   1.59414   1.60305
 Alpha virt. eigenvalues --    1.60409   1.61566   1.62113   1.62234   1.63621
 Alpha virt. eigenvalues --    1.63876   1.65250   1.65935   1.66051   1.66373
 Alpha virt. eigenvalues --    1.67912   1.68034   1.68629   1.70237   1.71013
 Alpha virt. eigenvalues --    1.72488   1.74303   1.74769   1.74987   1.75688
 Alpha virt. eigenvalues --    1.75876   1.76465   1.77926   1.78290   1.78576
 Alpha virt. eigenvalues --    1.80591   1.80934   1.82361   1.82485   1.83119
 Alpha virt. eigenvalues --    1.83730   1.84033   1.84875   1.84970   1.86164
 Alpha virt. eigenvalues --    1.86888   1.87777   1.88375   1.89558   1.91210
 Alpha virt. eigenvalues --    1.92150   1.92174   1.92918   1.93861   1.95151
 Alpha virt. eigenvalues --    1.95164   1.96938   1.97467   1.99269   1.99706
 Alpha virt. eigenvalues --    2.02779   2.03007   2.04216   2.04632   2.05406
 Alpha virt. eigenvalues --    2.06603   2.08859   2.09746   2.10672   2.11800
 Alpha virt. eigenvalues --    2.12786   2.14415   2.14868   2.15998   2.16488
 Alpha virt. eigenvalues --    2.18799   2.19177   2.19877   2.20908   2.20957
 Alpha virt. eigenvalues --    2.21373   2.22116   2.22399   2.23188   2.24278
 Alpha virt. eigenvalues --    2.28718   2.29005   2.30374   2.31672   2.32691
 Alpha virt. eigenvalues --    2.33593   2.36558   2.38609   2.39713   2.43855
 Alpha virt. eigenvalues --    2.45374   2.46249   2.47523   2.48573   2.48707
 Alpha virt. eigenvalues --    2.49075   2.50240   2.51141   2.51847   2.53380
 Alpha virt. eigenvalues --    2.54768   2.55819   2.56978   2.57392   2.60767
 Alpha virt. eigenvalues --    2.65103   2.65658   2.66945   2.70760   2.71217
 Alpha virt. eigenvalues --    2.77822   2.77837   2.78734   2.86971   2.88976
 Alpha virt. eigenvalues --    2.89544   2.89703   2.90174   2.90549   3.01029
 Alpha virt. eigenvalues --    3.03356   3.04023   3.05668   3.06042   3.07415
 Alpha virt. eigenvalues --    3.08263   3.27228   3.27350   3.27408   3.28610
 Alpha virt. eigenvalues --    3.30932   3.31798  48.80843
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.757819   0.116356   0.124655   0.051962   0.034971   0.001794
     2  C    0.116356   4.778875  -0.629422   0.124770  -0.003805  -0.000230
     3  N    0.124655  -0.629422  13.261837  -1.422019   0.033993  -0.003773
     4  Rh   0.051962   0.124770  -1.422019  19.595745  -1.424762   0.124636
     5  N    0.034971  -0.003805   0.033993  -1.424762  13.271057  -0.630436
     6  C    0.001794  -0.000230  -0.003773   0.124636  -0.630436   4.779733
     7  C   -0.002137   0.001791   0.034820   0.052944   0.124480   0.116188
     8  N   -0.009242   0.014717  -0.308336  -1.433015  -0.028452   0.043148
     9  N   -0.483619   0.042551  -0.028480  -1.430786  -0.307871   0.014638
    10  N    0.001884  -0.002206  -0.093898  -1.203779  -0.291049   0.054781
    11  C   -0.001301   0.000253   0.000956   0.053427   0.002630  -0.002976
    12  H    0.000089  -0.000087   0.004337   0.027771   0.043184  -0.021890
    13  H   -0.000370   0.001138  -0.047833   0.123034  -0.120125   0.010509
    14  H   -0.000198  -0.000030   0.005392   0.011447  -0.181484   0.442683
    15  H    0.000422  -0.000172   0.001875   0.133521  -0.292345   0.269320
    16  H   -0.003931   0.442294  -0.181476   0.011391   0.005456  -0.000030
    17  H    0.003123   0.269915  -0.291642   0.133100   0.001831  -0.000171
    18  H    0.469288  -0.021904   0.043072   0.027857   0.004337  -0.000086
    19  H    0.242104   0.010723  -0.120069   0.123091  -0.048002   0.001139
    20  H    0.058129  -0.040155  -0.018235   0.182494   0.039060  -0.000795
    21  H    0.129366  -0.004654   0.030150   0.239349   0.014139  -0.000752
    22  H   -0.056437   0.117998  -0.769877   0.203570  -0.019359  -0.001498
    23  H   -0.011025   0.128871  -0.891825   0.236832   0.003928  -0.002976
    24  H    0.001570  -0.001527  -0.018939   0.203269  -0.770914   0.118055
    25  H   -0.004970  -0.002984   0.003882   0.237506  -0.894292   0.128991
    26  H   -0.000078  -0.000796   0.038996   0.182347  -0.018252  -0.040131
    27  H    0.000540  -0.000770   0.014341   0.239734   0.030109  -0.004806
    28  C    0.001015  -0.002956   0.002594   0.054175   0.000986   0.000257
    29  N    0.000695   0.054658  -0.290464  -1.204885  -0.094166  -0.002213
    30  H   -0.000704  -0.000062   0.004228   0.249671   0.032574  -0.007220
    31  H    0.000683   0.000071   0.002713   0.143073   0.014023  -0.003797
    32  H    0.000221   0.000029   0.002422   0.096912   0.005645  -0.000375
    33  H   -0.000171  -0.000009   0.000482   0.025104   0.000223  -0.000340
    34  H   -0.000457  -0.000340   0.000208   0.024716   0.000482  -0.000009
    35  H    0.002641  -0.000377   0.005658   0.097199   0.002419   0.000030
    36  H   -0.000322  -0.007174   0.032218   0.249332   0.004237  -0.000064
    37  H   -0.001808  -0.003772   0.014047   0.143892   0.002740   0.000073
               7          8          9         10         11         12
     1  C   -0.002137  -0.009242  -0.483619   0.001884  -0.001301   0.000089
     2  C    0.001791   0.014717   0.042551  -0.002206   0.000253  -0.000087
     3  N    0.034820  -0.308336  -0.028480  -0.093898   0.000956   0.004337
     4  Rh   0.052944  -1.433015  -1.430786  -1.203779   0.053427   0.027771
     5  N    0.124480  -0.028452  -0.307871  -0.291049   0.002630   0.043184
     6  C    0.116188   0.043148   0.014638   0.054781  -0.002976  -0.021890
     7  C    4.758415  -0.486430  -0.009205   0.000822   0.001015   0.469294
     8  N   -0.486430  12.572550  -0.099105   0.105046   0.018629  -0.229762
     9  N   -0.009205  -0.099105  12.565377  -0.093893   0.003154   0.000543
    10  N    0.000822   0.105046  -0.093893  11.696292  -0.340814   0.003203
    11  C    0.001015   0.018629   0.003154  -0.340814   4.757153  -0.000277
    12  H    0.469294  -0.229762   0.000543   0.003203  -0.000277   1.043236
    13  H    0.242293  -0.231095   0.001165  -0.001079   0.000392  -0.261577
    14  H   -0.004264   0.048358   0.000561   0.003065   0.000027  -0.025411
    15  H    0.003348  -0.125445   0.005322  -0.035474   0.001129  -0.044024
    16  H   -0.000195   0.000561   0.048108   0.000460  -0.000057   0.000005
    17  H    0.000419   0.005317  -0.124955   0.001237   0.000564  -0.000010
    18  H    0.000089   0.000543  -0.229544   0.000211  -0.000123  -0.000002
    19  H   -0.000367   0.001161  -0.231150   0.004751   0.000052   0.000014
    20  H   -0.000074   0.000695  -0.543447  -0.014839   0.000779   0.000008
    21  H    0.000535   0.003813  -0.839160   0.002565  -0.004446  -0.000012
    22  H    0.001548   0.035173  -0.016986  -0.000145  -0.000141  -0.002515
    23  H   -0.004913   0.045118   0.011786   0.005504  -0.000442   0.000018
    24  H   -0.056373  -0.017104   0.034907   0.031755  -0.000494   0.000830
    25  H   -0.011020   0.011824   0.045310   0.006344   0.001246  -0.005451
    26  H    0.058248  -0.543516   0.000689  -0.026801   0.003467  -0.041915
    27  H    0.130033  -0.840132   0.003821  -0.001741  -0.003331   0.087537
    28  C   -0.001303   0.003128   0.018600   0.027801   0.117275  -0.000124
    29  N    0.001832  -0.093117   0.105160  -0.057323   0.028169   0.000207
    30  H   -0.000329  -0.087435   0.031686  -0.781477   0.070775   0.000789
    31  H   -0.001820  -0.004817  -0.033290  -0.280427   0.053833  -0.000107
    32  H    0.002655  -0.038022  -0.005719  -0.212909   0.259034  -0.000121
    33  H   -0.000459  -0.003054   0.011146  -0.187231   0.441247  -0.000025
    34  H   -0.000171   0.011189  -0.003078   0.027815   0.013216  -0.000008
    35  H    0.000221  -0.005762  -0.037767  -0.075367  -0.014142   0.000007
    36  H   -0.000699   0.031671  -0.087374   0.029790   0.007115  -0.000036
    37  H    0.000710  -0.033698  -0.004760  -0.002273  -0.036037  -0.000188
              13         14         15         16         17         18
     1  C   -0.000370  -0.000198   0.000422  -0.003931   0.003123   0.469288
     2  C    0.001138  -0.000030  -0.000172   0.442294   0.269915  -0.021904
     3  N   -0.047833   0.005392   0.001875  -0.181476  -0.291642   0.043072
     4  Rh   0.123034   0.011447   0.133521   0.011391   0.133100   0.027857
     5  N   -0.120125  -0.181484  -0.292345   0.005456   0.001831   0.004337
     6  C    0.010509   0.442683   0.269320  -0.000030  -0.000171  -0.000086
     7  C    0.242293  -0.004264   0.003348  -0.000195   0.000419   0.000089
     8  N   -0.231095   0.048358  -0.125445   0.000561   0.005317   0.000543
     9  N    0.001165   0.000561   0.005322   0.048108  -0.124955  -0.229544
    10  N   -0.001079   0.003065  -0.035474   0.000460   0.001237   0.000211
    11  C    0.000392   0.000027   0.001129  -0.000057   0.000564  -0.000123
    12  H   -0.261577  -0.025411  -0.044024   0.000005  -0.000010  -0.000002
    13  H    1.155224  -0.041379   0.066214   0.000005   0.000281   0.000014
    14  H   -0.041379   1.016521  -0.254237  -0.000034  -0.000004   0.000005
    15  H    0.066214  -0.254237   1.141792  -0.000004  -0.000012  -0.000010
    16  H    0.000005  -0.000034  -0.000004   1.015954  -0.253624  -0.025498
    17  H    0.000281  -0.000004  -0.000012  -0.253624   1.139950  -0.043885
    18  H    0.000014   0.000005  -0.000010  -0.025498  -0.043885   1.043040
    19  H    0.000358   0.000003   0.000283  -0.041181   0.066059  -0.261501
    20  H   -0.000128  -0.000023  -0.000274   0.002444   0.020532  -0.041682
    21  H   -0.000017  -0.000132  -0.000021  -0.007859   0.002694   0.087363
    22  H    0.017211   0.000299  -0.000350  -0.040675   0.073888   0.000849
    23  H    0.004170  -0.000474  -0.000274   0.082289  -0.011289  -0.005447
    24  H    0.018256  -0.040607   0.074021   0.000292  -0.000348  -0.002518
    25  H    0.000634   0.082257  -0.011070  -0.000478  -0.000272   0.000019
    26  H    0.071658   0.002412   0.020672  -0.000023  -0.000274   0.000008
    27  H   -0.008339  -0.007873   0.002723  -0.000132  -0.000021  -0.000012
    28  C    0.000053  -0.000057   0.000566   0.000027   0.001123  -0.000275
    29  N    0.004734   0.000465   0.001241   0.003013  -0.035243   0.003187
    30  H    0.000397  -0.002350   0.018684  -0.000002  -0.000078  -0.000036
    31  H   -0.000052  -0.000027   0.004119  -0.000036   0.000019  -0.000189
    32  H    0.000283  -0.000024   0.000834  -0.000005   0.000032   0.000007
    33  H    0.000019  -0.000004   0.000443   0.000000  -0.000032  -0.000008
    34  H   -0.000014   0.000000  -0.000032  -0.000004   0.000441  -0.000025
    35  H   -0.000001  -0.000005   0.000032  -0.000024   0.000825  -0.000120
    36  H   -0.000376  -0.000002  -0.000079  -0.002325   0.018578   0.000781
    37  H    0.000339  -0.000036   0.000020  -0.000026   0.004098  -0.000107
              19         20         21         22         23         24
     1  C    0.242104   0.058129   0.129366  -0.056437  -0.011025   0.001570
     2  C    0.010723  -0.040155  -0.004654   0.117998   0.128871  -0.001527
     3  N   -0.120069  -0.018235   0.030150  -0.769877  -0.891825  -0.018939
     4  Rh   0.123091   0.182494   0.239349   0.203570   0.236832   0.203269
     5  N   -0.048002   0.039060   0.014139  -0.019359   0.003928  -0.770914
     6  C    0.001139  -0.000795  -0.000752  -0.001498  -0.002976   0.118055
     7  C   -0.000367  -0.000074   0.000535   0.001548  -0.004913  -0.056373
     8  N    0.001161   0.000695   0.003813   0.035173   0.045118  -0.017104
     9  N   -0.231150  -0.543447  -0.839160  -0.016986   0.011786   0.034907
    10  N    0.004751  -0.014839   0.002565  -0.000145   0.005504   0.031755
    11  C    0.000052   0.000779  -0.004446  -0.000141  -0.000442  -0.000494
    12  H    0.000014   0.000008  -0.000012  -0.002515   0.000018   0.000830
    13  H    0.000358  -0.000128  -0.000017   0.017211   0.004170   0.018256
    14  H    0.000003  -0.000023  -0.000132   0.000299  -0.000474  -0.040607
    15  H    0.000283  -0.000274  -0.000021  -0.000350  -0.000274   0.074021
    16  H   -0.041181   0.002444  -0.007859  -0.040675   0.082289   0.000292
    17  H    0.066059   0.020532   0.002694   0.073888  -0.011289  -0.000348
    18  H   -0.261501  -0.041682   0.087363   0.000849  -0.005447  -0.002518
    19  H    1.155605   0.071531  -0.008150   0.018200   0.000635   0.017261
    20  H    0.071531   0.763833  -0.033824  -0.000000   0.001686  -0.001949
    21  H   -0.008150  -0.033824   0.879211  -0.000205  -0.002535  -0.001007
    22  H    0.018200  -0.000000  -0.000205   0.816254   0.000305   0.012314
    23  H    0.000635   0.001686  -0.002535   0.000305   0.828145   0.000412
    24  H    0.017261  -0.001949  -0.001007   0.012314   0.000412   0.816749
    25  H    0.004165  -0.006624   0.000439   0.000448  -0.000591   0.000498
    26  H   -0.000128   0.000204  -0.000080  -0.001950  -0.006596   0.000022
    27  H   -0.000017  -0.000080  -0.000105  -0.001059   0.000458  -0.000183
    28  C    0.000391   0.003437  -0.003316  -0.000490   0.001256  -0.000142
    29  N   -0.001074  -0.026879  -0.001719   0.031729   0.006198  -0.000160
    30  H   -0.000377   0.000506  -0.005767   0.000144  -0.000402  -0.002574
    31  H    0.000335   0.005787   0.007686  -0.000053  -0.000282  -0.002456
    32  H   -0.000001   0.000543   0.000779  -0.000129  -0.000244  -0.000234
    33  H   -0.000014  -0.000705  -0.001388   0.000007  -0.000031   0.000014
    34  H    0.000019  -0.002221   0.000182   0.000014   0.000142   0.000007
    35  H    0.000280   0.019315   0.004926  -0.000234  -0.000182  -0.000129
    36  H    0.000396   0.025066   0.005150  -0.002565   0.009514   0.000146
    37  H   -0.000052   0.001159  -0.000226  -0.002454   0.000789  -0.000054
              25         26         27         28         29         30
     1  C   -0.004970  -0.000078   0.000540   0.001015   0.000695  -0.000704
     2  C   -0.002984  -0.000796  -0.000770  -0.002956   0.054658  -0.000062
     3  N    0.003882   0.038996   0.014341   0.002594  -0.290464   0.004228
     4  Rh   0.237506   0.182347   0.239734   0.054175  -1.204885   0.249671
     5  N   -0.894292  -0.018252   0.030109   0.000986  -0.094166   0.032574
     6  C    0.128991  -0.040131  -0.004806   0.000257  -0.002213  -0.007220
     7  C   -0.011020   0.058248   0.130033  -0.001303   0.001832  -0.000329
     8  N    0.011824  -0.543516  -0.840132   0.003128  -0.093117  -0.087435
     9  N    0.045310   0.000689   0.003821   0.018600   0.105160   0.031686
    10  N    0.006344  -0.026801  -0.001741   0.027801  -0.057323  -0.781477
    11  C    0.001246   0.003467  -0.003331   0.117275   0.028169   0.070775
    12  H   -0.005451  -0.041915   0.087537  -0.000124   0.000207   0.000789
    13  H    0.000634   0.071658  -0.008339   0.000053   0.004734   0.000397
    14  H    0.082257   0.002412  -0.007873  -0.000057   0.000465  -0.002350
    15  H   -0.011070   0.020672   0.002723   0.000566   0.001241   0.018684
    16  H   -0.000478  -0.000023  -0.000132   0.000027   0.003013  -0.000002
    17  H   -0.000272  -0.000274  -0.000021   0.001123  -0.035243  -0.000078
    18  H    0.000019   0.000008  -0.000012  -0.000275   0.003187  -0.000036
    19  H    0.004165  -0.000128  -0.000017   0.000391  -0.001074  -0.000377
    20  H   -0.006624   0.000204  -0.000080   0.003437  -0.026879   0.000506
    21  H    0.000439  -0.000080  -0.000105  -0.003316  -0.001719  -0.005767
    22  H    0.000448  -0.001950  -0.001059  -0.000490   0.031729   0.000144
    23  H   -0.000591  -0.006596   0.000458   0.001256   0.006198  -0.000402
    24  H    0.000498   0.000022  -0.000183  -0.000142  -0.000160  -0.002574
    25  H    0.829192   0.001674  -0.002534  -0.000446   0.005533   0.009441
    26  H    0.001674   0.764199  -0.033872   0.000795  -0.014951   0.025090
    27  H   -0.002534  -0.033872   0.879072  -0.004432   0.002006   0.005149
    28  C   -0.000446   0.000795  -0.004432   4.757179  -0.341127   0.007126
    29  N    0.005533  -0.014951   0.002006  -0.341127  11.696786   0.029628
    30  H    0.009441   0.025090   0.005149   0.007126   0.029628   0.952969
    31  H    0.000805   0.001157  -0.000222  -0.035952  -0.001951  -0.052426
    32  H   -0.000181   0.019487   0.004966  -0.013999  -0.075032  -0.007529
    33  H    0.000141  -0.002249   0.000182   0.013008   0.027501   0.078379
    34  H   -0.000031  -0.000699  -0.001390   0.440787  -0.186094  -0.006191
    35  H   -0.000244   0.000542   0.000784   0.259504  -0.213466  -0.001578
    36  H   -0.000404   0.000513  -0.005723   0.070637  -0.780245  -0.004105
    37  H   -0.000284   0.005802   0.007822   0.054022  -0.281458  -0.000164
              31         32         33         34         35         36
     1  C    0.000683   0.000221  -0.000171  -0.000457   0.002641  -0.000322
     2  C    0.000071   0.000029  -0.000009  -0.000340  -0.000377  -0.007174
     3  N    0.002713   0.002422   0.000482   0.000208   0.005658   0.032218
     4  Rh   0.143073   0.096912   0.025104   0.024716   0.097199   0.249332
     5  N    0.014023   0.005645   0.000223   0.000482   0.002419   0.004237
     6  C   -0.003797  -0.000375  -0.000340  -0.000009   0.000030  -0.000064
     7  C   -0.001820   0.002655  -0.000459  -0.000171   0.000221  -0.000699
     8  N   -0.004817  -0.038022  -0.003054   0.011189  -0.005762   0.031671
     9  N   -0.033290  -0.005719   0.011146  -0.003078  -0.037767  -0.087374
    10  N   -0.280427  -0.212909  -0.187231   0.027815  -0.075367   0.029790
    11  C    0.053833   0.259034   0.441247   0.013216  -0.014142   0.007115
    12  H   -0.000107  -0.000121  -0.000025  -0.000008   0.000007  -0.000036
    13  H   -0.000052   0.000283   0.000019  -0.000014  -0.000001  -0.000376
    14  H   -0.000027  -0.000024  -0.000004   0.000000  -0.000005  -0.000002
    15  H    0.004119   0.000834   0.000443  -0.000032   0.000032  -0.000079
    16  H   -0.000036  -0.000005   0.000000  -0.000004  -0.000024  -0.002325
    17  H    0.000019   0.000032  -0.000032   0.000441   0.000825   0.018578
    18  H   -0.000189   0.000007  -0.000008  -0.000025  -0.000120   0.000781
    19  H    0.000335  -0.000001  -0.000014   0.000019   0.000280   0.000396
    20  H    0.005787   0.000543  -0.000705  -0.002221   0.019315   0.025066
    21  H    0.007686   0.000779  -0.001388   0.000182   0.004926   0.005150
    22  H   -0.000053  -0.000129   0.000007   0.000014  -0.000234  -0.002565
    23  H   -0.000282  -0.000244  -0.000031   0.000142  -0.000182   0.009514
    24  H   -0.002456  -0.000234   0.000014   0.000007  -0.000129   0.000146
    25  H    0.000805  -0.000181   0.000141  -0.000031  -0.000244  -0.000404
    26  H    0.001157   0.019487  -0.002249  -0.000699   0.000542   0.000513
    27  H   -0.000222   0.004966   0.000182  -0.001390   0.000784  -0.005723
    28  C   -0.035952  -0.013999   0.013008   0.440787   0.259504   0.070637
    29  N   -0.001951  -0.075032   0.027501  -0.186094  -0.213466  -0.780245
    30  H   -0.052426  -0.007529   0.078379  -0.006191  -0.001578  -0.004105
    31  H    0.618155   0.047753  -0.034679  -0.000414   0.010948  -0.000208
    32  H    0.047753   1.121518  -0.254552  -0.067711   0.077060  -0.001631
    33  H   -0.034679  -0.254552   1.019220   0.004816  -0.067523  -0.006165
    34  H   -0.000414  -0.067711   0.004816   1.018472  -0.254498   0.078189
    35  H    0.010948   0.077060  -0.067523  -0.254498   1.121575  -0.007412
    36  H   -0.000208  -0.001631  -0.006165   0.078189  -0.007412   0.952342
    37  H    0.000129   0.010997  -0.000366  -0.034869   0.047887  -0.052384
              37
     1  C   -0.001808
     2  C   -0.003772
     3  N    0.014047
     4  Rh   0.143892
     5  N    0.002740
     6  C    0.000073
     7  C    0.000710
     8  N   -0.033698
     9  N   -0.004760
    10  N   -0.002273
    11  C   -0.036037
    12  H   -0.000188
    13  H    0.000339
    14  H   -0.000036
    15  H    0.000020
    16  H   -0.000026
    17  H    0.004098
    18  H   -0.000107
    19  H   -0.000052
    20  H    0.001159
    21  H   -0.000226
    22  H   -0.002454
    23  H    0.000789
    24  H   -0.000054
    25  H   -0.000284
    26  H    0.005802
    27  H    0.007822
    28  C    0.054022
    29  N   -0.281458
    30  H   -0.000164
    31  H    0.000129
    32  H    0.010997
    33  H   -0.000366
    34  H   -0.034869
    35  H    0.047887
    36  H   -0.052384
    37  H    0.618208
 Mulliken charges:
               1
     1  C    0.577439
     2  C    0.618420
     3  N   -1.546590
     4  Rh   1.715374
     5  N   -1.547185
     6  C    0.618596
     7  C    0.578059
     8  N   -1.335099
     9  N   -1.334336
    10  N   -1.300600
    11  C    0.569041
    12  H   -0.047529
    13  H   -0.005994
    14  H   -0.054841
    15  H    0.017244
    16  H   -0.054682
    17  H    0.017835
    18  H   -0.047699
    19  H   -0.006473
    20  H    0.534725
    21  H    0.507028
    22  H    0.587171
    23  H    0.571471
    24  H    0.587335
    25  H    0.571530
    26  H    0.534327
    27  H    0.507496
    28  C    0.568876
    29  N   -1.301176
    30  H    0.443570
    31  H    0.541915
    32  H    0.027242
    33  H   -0.062926
    34  H   -0.062443
    35  H    0.026977
    36  H    0.443619
    37  H    0.542281
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.523268
     2  C    0.581573
     3  N   -0.387947
     4  Rh   1.715374
     5  N   -0.388321
     6  C    0.580999
     7  C    0.524535
     8  N   -0.293275
     9  N   -0.292583
    10  N   -0.315114
    11  C    0.533357
    28  C    0.533410
    29  N   -0.315276
 Electronic spatial extent (au):  <R**2>=           2776.7075
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0020    Y=              0.0311    Z=              0.0020  Tot=              0.0312
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.5964   YY=            -30.8451   ZZ=            -52.5612
   XY=              0.0109   XZ=              0.1011   YZ=             -0.0017
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.4045   YY=              7.1558   ZZ=            -14.5603
   XY=              0.0109   XZ=              0.1011   YZ=             -0.0017
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -2.4984  YYY=             38.3191  ZZZ=              0.0020  XYY=              2.4803
  XXY=            -37.5119  XXZ=             -0.0448  XZZ=             -0.0246  YZZ=             -0.4559
  YYZ=              0.0391  XYZ=             -0.8126
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -987.5727 YYYY=           -954.8475 ZZZZ=           -379.2038 XXXY=              0.3572
 XXXZ=             35.9727 YYYX=             -0.0137 YYYZ=              2.4848 ZZZX=              4.6712
 ZZZY=             -0.1150 XXYY=           -320.7350 XXZZ=           -231.9988 YYZZ=           -234.6189
 XXYZ=             -2.4607 YYXZ=            -38.2344 ZZXY=             -0.1071
 N-N= 1.198209073905D+03 E-N=-3.899891688756D+03  KE= 6.034027999152D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 19:05:35 2021, MaxMem= 10737418240 cpu:               9.3 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.58655459D-04 1.43809002D-02 7.25989390D-04
 Polarizability= 1.49422457D+02-4.41604134D-03 1.48319784D+02
                -4.53560410D-02-4.68735167D-05 1.20631710D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0171    0.0101       -0.0041   -0.0039
 2     -0.0171   -0.0101       -0.0003    0.0003       -0.5366   -0.5401
 3      0.0041    0.0039       14.5231   14.5595        0.0007   -0.0003
 4      0.0003   -0.0003       -0.0000    0.0000        0.0044    0.0039
 5    -13.9865  -14.0194       -0.0044   -0.0039        0.0145    0.0101
 6     -0.0007    0.0003       -0.0145   -0.0101       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0303   -0.0303       -0.0116   -0.0116
 2     -0.0009   -0.0009        0.0000    0.0000       -0.0116   -0.0116
 3     -0.0009   -0.0009       -0.0303   -0.0303        0.0000    0.0000
 4     -0.0303   -0.0303        0.0009    0.0009       -1.6202   -1.6202
 5      0.0116    0.0116       43.6785   43.6785       -0.0009   -0.0009
 6    -42.0583  -42.0583       -0.0116   -0.0116        0.0303    0.0303
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0306    0.0000       -0.5291   -0.0404        0.0247    0.0155
 2      0.3011    0.0404        0.0603   -0.0012        2.4837    2.1603
 3      0.0244   -0.0155      -58.4635  -58.2380        0.1077    0.0012
 4     -0.0467    0.0012       -0.2739    0.0000       -0.0407   -0.0155
 5     56.0400   56.0777       -0.0802    0.0155        0.0403   -0.0404
 6     -0.0272   -0.0012        0.0068    0.0404        0.0397    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0778    0.0000        3.4953    3.0362       -0.4718   -0.2043
 2     -4.8888   -3.0362        0.0442   -0.1087       -8.3284   -7.4177
 3     -0.1846    0.2043       -8.9828   -8.6438       -0.4030    0.1087
 4     -0.0578    0.1087       -0.4565    0.0000        0.1788    0.2043
 5     16.1504   16.0615        0.0603   -0.2043        4.0616    3.0362
 6     -0.0912   -0.1087       -2.8904   -3.0362        0.2385    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.4687    6.4023       84.4177   83.6133       -0.4733   -0.2822
 2      6.5896    6.5144       88.4304   88.0505       -0.6473   -0.2822
 3      6.5621    6.5144       83.8669   83.6133       -0.6638   -0.3068
 4     -5.9947   -4.4372        0.0581   -0.1121        1.9980    3.3007
 5     -0.3543   -0.0246      -27.8326  -27.3346       -0.4765    0.1121
 6     24.3014   24.0339        0.3705    0.0246        4.7986    4.4372
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.4836  -11.2898   -6.5340   -0.0004   -0.0003   -0.0002
 Low frequencies ---   84.2247   87.9363  101.8202
 Diagonal vibrational polarizability:
       14.0892078      12.8852557      13.4777204
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     84.1902                87.9342               101.7887
 Red. masses --      2.9562                 2.9808                 2.8609
 Frc consts  --      0.0123                 0.0136                 0.0175
 IR Inten    --      0.0095                 0.0097                 0.0472
 RamAct Fr= 1--      0.9911                 0.9293                 0.1421
  Dep-P Fr= 1--      0.7491                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8566                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1415                 0.1328                 0.0203
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.4241                -0.2325                 0.0584
 Delta2 Fr= 1--     -0.0380                -0.0345                -0.0050
 Raman1 Fr= 1--       3.964                  3.717                  0.568
 ROA1   Fr= 1--     -41.927                -23.426                  5.448
 CID1   Fr= 1--     -10.576                 -6.302                  9.586
 Raman2 Fr= 1--       1.698                  1.593                  0.243
 ROA2   Fr= 1--      -9.874                 -5.304                  1.442
 CID2   Fr= 1--      -5.815                 -3.329                  5.923
 Raman3 Fr= 1--       3.396                  3.186                  0.487
 ROA3   Fr= 1--     -41.927                -23.426                  5.448
 CID3   Fr= 1--     -12.347                 -7.352                 11.191
 RC180  Fr= 1--       0.713                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04   0.01    -0.11   0.15   0.08     0.07   0.03  -0.09
     2   6    -0.08   0.09   0.01    -0.02   0.18   0.08    -0.03  -0.03  -0.09
     3   7    -0.08   0.00   0.01     0.01  -0.02  -0.05    -0.05   0.02   0.02
     4  45    -0.02  -0.04   0.01     0.03  -0.02  -0.01     0.01   0.00   0.06
     5   7     0.03  -0.02   0.04     0.07   0.01  -0.03    -0.06  -0.02   0.02
     6   6     0.07   0.19  -0.08     0.06  -0.02   0.03    -0.03   0.03  -0.09
     7   6     0.15   0.14  -0.08     0.00  -0.04   0.03     0.06  -0.04  -0.08
     8   7    -0.03   0.01   0.04     0.01  -0.03   0.02     0.03  -0.09   0.03
     9   7     0.01  -0.02  -0.03     0.03   0.03  -0.02     0.03   0.08   0.04
    10   7     0.04  -0.06   0.02     0.00   0.02   0.02     0.05  -0.04   0.02
    11   6     0.08  -0.07   0.03    -0.14   0.04  -0.02    -0.11   0.04  -0.12
    12   1     0.17   0.29  -0.14    -0.01  -0.07   0.08     0.08  -0.01  -0.14
    13   1     0.31   0.04  -0.09    -0.04  -0.04   0.00     0.12  -0.09  -0.10
    14   1     0.20   0.27  -0.14     0.05  -0.02   0.03    -0.01   0.06  -0.15
    15   1    -0.09   0.29  -0.10     0.09  -0.02   0.06    -0.10   0.07  -0.09
    16   1    -0.15   0.13   0.04    -0.13   0.25   0.14    -0.00  -0.07  -0.16
    17   1    -0.03   0.14  -0.01     0.13   0.26   0.11    -0.10  -0.08  -0.09
    18   1    -0.07   0.10   0.00    -0.13   0.28   0.15     0.08  -0.00  -0.15
    19   1    -0.13  -0.00   0.04    -0.27   0.07   0.08     0.14   0.08  -0.10
    20   1     0.05   0.02  -0.09     0.12   0.11  -0.11     0.00   0.05   0.12
    21   1     0.04  -0.08  -0.03     0.04  -0.09  -0.02     0.03   0.19   0.03
    22   1    -0.14  -0.02  -0.01    -0.10  -0.06  -0.17    -0.02   0.03   0.09
    23   1    -0.07  -0.01   0.01     0.13  -0.12  -0.03    -0.14   0.06   0.02
    24   1     0.15  -0.07   0.16     0.06   0.01  -0.08    -0.03  -0.02   0.09
    25   1    -0.08  -0.11   0.03     0.12   0.05  -0.02    -0.14  -0.05   0.02
    26   1    -0.12   0.11   0.15     0.02  -0.04   0.02     0.01  -0.06   0.11
    27   1    -0.06  -0.12   0.03    -0.01  -0.03   0.01     0.02  -0.19   0.03
    28   6     0.07  -0.01  -0.01    -0.15  -0.07  -0.03    -0.11  -0.03  -0.12
    29   7    -0.02  -0.01  -0.02    -0.03  -0.07  -0.00     0.05   0.04   0.02
    30   1     0.03  -0.10   0.01     0.03   0.09   0.09     0.09  -0.01   0.14
    31   1     0.04  -0.04   0.02     0.06  -0.03  -0.02     0.14  -0.15  -0.05
    32   1     0.07  -0.12   0.05    -0.15   0.14  -0.00    -0.11   0.21  -0.12
    33   1     0.14  -0.07   0.04    -0.21   0.03  -0.04    -0.20  -0.02  -0.22
    34   1     0.09  -0.01   0.00    -0.24  -0.06  -0.06    -0.19   0.03  -0.21
    35   1     0.09   0.04  -0.03    -0.15  -0.17  -0.04    -0.12  -0.20  -0.11
    36   1    -0.04   0.02  -0.08    -0.01  -0.13   0.04     0.09   0.01   0.15
    37   1    -0.06  -0.04   0.00     0.00  -0.01  -0.02     0.15   0.15  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    144.5414               145.1794               163.0770
 Red. masses --      2.9263                 2.9334                 2.6836
 Frc consts  --      0.0360                 0.0364                 0.0420
 IR Inten    --      0.7408                 0.5929                 0.1302
 RamAct Fr= 1--      0.3165                 0.2178                 1.4598
  Dep-P Fr= 1--      0.7475                 0.7135                 0.7220
  Dep-U Fr= 1--      0.8555                 0.8328                 0.8386
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0007
 Beta2  Fr= 1--      0.0451                 0.0302                 0.2040
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0128
 Gamma2 Fr= 1--      1.3351                 1.1078                -2.7263
 Delta2 Fr= 1--      0.2163                 0.1518                -0.4907
 Raman1 Fr= 1--       1.266                  0.871                  5.839
 ROA1   Fr= 1--     135.093                111.209               -277.429
 CID1   Fr= 1--     106.703                127.647                -47.512
 Raman2 Fr= 1--       0.542                  0.363                  2.448
 ROA2   Fr= 1--      30.312                 25.374                -61.505
 CID2   Fr= 1--      55.973                 69.941                -25.122
 Raman3 Fr= 1--       1.083                  0.726                  4.896
 ROA3   Fr= 1--     135.093                111.209               -277.429
 CID3   Fr= 1--     124.728                153.270                -56.659
 RC180  Fr= 1--       0.711                  0.666                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.07    -0.06   0.09  -0.05    -0.07   0.07   0.01
     2   6     0.05  -0.10   0.06    -0.01  -0.06  -0.07     0.02  -0.09  -0.01
     3   7     0.07  -0.08  -0.03    -0.00  -0.10  -0.09     0.03  -0.07  -0.06
     4  45    -0.01   0.01   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     5   7     0.06   0.12  -0.08     0.05  -0.03   0.04    -0.04  -0.07   0.06
     6   6     0.04   0.11  -0.00     0.05   0.01   0.09    -0.02  -0.09   0.01
     7   6    -0.07  -0.06   0.02     0.02   0.07   0.08     0.07   0.07  -0.01
     8   7    -0.09  -0.09   0.09    -0.01   0.06   0.01     0.06   0.08  -0.08
     9   7    -0.08   0.03   0.08    -0.04   0.11   0.05    -0.06   0.09   0.08
    10   7     0.07  -0.05   0.00    -0.11  -0.04  -0.09     0.10   0.01   0.07
    11   6     0.07  -0.02  -0.05    -0.03  -0.01  -0.13     0.04  -0.00   0.08
    12   1    -0.10  -0.11   0.11     0.02   0.11   0.09     0.09   0.14  -0.08
    13   1    -0.13  -0.11  -0.11     0.03   0.08   0.11     0.13   0.11   0.12
    14   1     0.09   0.17  -0.09     0.07   0.01   0.13    -0.08  -0.15   0.10
    15   1     0.05   0.19   0.13     0.04   0.01   0.07    -0.01  -0.18  -0.11
    16   1     0.10  -0.13   0.02    -0.00  -0.09  -0.15     0.07  -0.15  -0.10
    17   1     0.06  -0.15   0.15    -0.00  -0.11   0.03     0.00  -0.18   0.11
    18   1    -0.07   0.02   0.14    -0.07   0.16  -0.00    -0.09   0.14   0.09
    19   1    -0.08   0.04  -0.01    -0.10   0.14  -0.15    -0.13   0.12  -0.12
    20   1    -0.07   0.02   0.16    -0.01   0.11   0.17    -0.03   0.09   0.18
    21   1    -0.15   0.08   0.07    -0.09   0.20   0.04    -0.11   0.17   0.07
    22   1     0.10  -0.05  -0.14    -0.01  -0.08  -0.18     0.06  -0.06  -0.13
    23   1     0.13  -0.16  -0.02     0.01  -0.20  -0.07     0.06  -0.14  -0.06
    24   1     0.08   0.09  -0.22     0.07  -0.03   0.05    -0.06  -0.05   0.13
    25   1     0.11   0.24  -0.06     0.08  -0.05   0.04    -0.06  -0.14   0.05
    26   1    -0.06  -0.08   0.23    -0.04   0.07  -0.02     0.03   0.09  -0.17
    27   1    -0.18  -0.19   0.08    -0.03   0.10   0.01     0.11   0.16  -0.07
    28   6     0.04   0.02  -0.12     0.07   0.00   0.07    -0.04  -0.00  -0.08
    29   7    -0.02   0.06  -0.06     0.13  -0.01   0.07    -0.09   0.01  -0.07
    30   1     0.08  -0.09   0.07    -0.14  -0.04  -0.20     0.12  -0.01   0.16
    31   1     0.12  -0.06  -0.03    -0.21  -0.07  -0.04     0.18   0.02   0.03
    32   1     0.03  -0.02  -0.01     0.08   0.03  -0.25    -0.05  -0.03   0.18
    33   1     0.12  -0.04  -0.07    -0.14  -0.03  -0.18     0.13   0.00   0.11
    34   1     0.00   0.05  -0.17     0.19  -0.01   0.10    -0.14   0.01  -0.11
    35   1     0.08  -0.01  -0.17    -0.04   0.04   0.19     0.05  -0.04  -0.18
    36   1    -0.03   0.09  -0.08     0.16   0.02   0.19    -0.11  -0.01  -0.15
    37   1    -0.04   0.09  -0.05     0.23  -0.03   0.01    -0.17   0.03  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    215.2628               217.8485               221.5678
 Red. masses --      2.8013                 2.7824                 2.9697
 Frc consts  --      0.0765                 0.0778                 0.0859
 IR Inten    --      4.4550                 5.9166                15.5955
 RamAct Fr= 1--      2.7202                 2.8192                 0.0931
  Dep-P Fr= 1--      0.7335                 0.7500                 0.7358
  Dep-U Fr= 1--      0.8462                 0.8571                 0.8478
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3837                 0.4027                 0.0132
 AlphaG Fr= 1--     -0.0049                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.8764                -0.6455                -0.1276
 Delta2 Fr= 1--      0.1649                 0.0690                -0.0293
 Raman1 Fr= 1--      10.881                 11.277                  0.373
 ROA1   Fr= 1--     -78.862                -59.758                -13.187
 CID1   Fr= 1--      -7.248                 -5.299                -35.391
 Raman2 Fr= 1--       4.604                  4.833                  0.158
 ROA2   Fr= 1--     -22.353                -16.043                 -2.828
 CID2   Fr= 1--      -4.855                 -3.320                -17.907
 Raman3 Fr= 1--       9.208                  9.666                  0.316
 ROA3   Fr= 1--     -78.862                -59.758                -13.187
 CID3   Fr= 1--      -8.565                 -6.182                -41.747
 RC180  Fr= 1--       0.692                  0.714                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01    -0.07  -0.08  -0.00     0.00   0.04  -0.04
     2   6    -0.09  -0.00  -0.01    -0.05  -0.01  -0.00    -0.01   0.03  -0.04
     3   7    -0.11   0.10   0.10    -0.04  -0.06  -0.06    -0.01  -0.10  -0.04
     4  45     0.00  -0.01  -0.00    -0.01   0.00   0.02     0.00  -0.00   0.07
     5   7     0.11   0.09  -0.09    -0.03   0.07  -0.06    -0.00   0.10  -0.04
     6   6     0.09  -0.00   0.01    -0.05   0.01   0.00    -0.01  -0.03  -0.04
     7   6    -0.01   0.00   0.01    -0.06   0.08  -0.00    -0.00  -0.03  -0.04
     8   7     0.06   0.07  -0.08     0.00   0.13  -0.05     0.11   0.03  -0.04
     9   7    -0.06   0.08   0.09    -0.00  -0.12  -0.05     0.10  -0.03  -0.04
    10   7     0.02  -0.07  -0.02     0.14  -0.03   0.08    -0.12  -0.06  -0.04
    11   6     0.01  -0.10   0.02     0.02   0.03  -0.02     0.02  -0.06  -0.04
    12   1    -0.04  -0.07   0.10    -0.06   0.04   0.00     0.00  -0.12  -0.03
    13   1    -0.12   0.06  -0.01    -0.11   0.13   0.03    -0.08   0.01  -0.03
    14   1     0.04  -0.03   0.05    -0.09  -0.03   0.07    -0.10  -0.07  -0.04
    15   1     0.18  -0.04   0.05     0.02  -0.05  -0.03     0.07  -0.08  -0.03
    16   1    -0.04  -0.04  -0.05    -0.09   0.03   0.06    -0.10   0.07  -0.04
    17   1    -0.19  -0.04  -0.05     0.01   0.05  -0.03     0.07   0.07  -0.03
    18   1     0.04  -0.07  -0.10    -0.06  -0.04  -0.00     0.01   0.12  -0.04
    19   1     0.13   0.06   0.01    -0.11  -0.12   0.03    -0.07  -0.01  -0.03
    20   1    -0.08   0.03   0.24    -0.00  -0.10  -0.16     0.12   0.01  -0.17
    21   1    -0.13   0.21   0.07     0.06  -0.20  -0.04     0.21  -0.12  -0.02
    22   1    -0.08   0.10   0.26    -0.06  -0.06  -0.16    -0.05  -0.11  -0.18
    23   1    -0.19   0.25   0.08     0.01  -0.16  -0.04     0.01  -0.25  -0.02
    24   1     0.08   0.09  -0.25    -0.06   0.07  -0.17    -0.05   0.11  -0.18
    25   1     0.20   0.23  -0.07     0.02   0.17  -0.05     0.02   0.25  -0.02
    26   1     0.08   0.03  -0.23     0.01   0.10  -0.17     0.13  -0.01  -0.18
    27   1     0.13   0.19  -0.07     0.07   0.21  -0.04     0.22   0.12  -0.02
    28   6    -0.01  -0.10  -0.02     0.02  -0.04  -0.02     0.02   0.06  -0.04
    29   7    -0.02  -0.07   0.02     0.14   0.02   0.08    -0.12   0.06  -0.04
    30   1     0.02  -0.07  -0.01     0.18  -0.05   0.25    -0.16  -0.09  -0.18
    31   1     0.02  -0.05  -0.02     0.28  -0.08  -0.01    -0.25  -0.06   0.04
    32   1    -0.02  -0.14   0.05     0.02   0.18  -0.02     0.02  -0.15  -0.04
    33   1     0.04  -0.08   0.06    -0.06  -0.01  -0.10     0.10  -0.07  -0.03
    34   1    -0.05  -0.08  -0.06    -0.06   0.01  -0.10     0.09   0.06  -0.05
    35   1     0.01  -0.13  -0.05     0.01  -0.18  -0.02     0.03   0.14  -0.05
    36   1    -0.02  -0.08   0.01     0.18   0.04   0.25    -0.16   0.09  -0.18
    37   1    -0.03  -0.06   0.02     0.28   0.07  -0.00    -0.25   0.07   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    249.8713               290.3703               302.3422
 Red. masses --      4.7062                 2.0253                 2.0123
 Frc consts  --      0.1731                 0.1006                 0.1084
 IR Inten    --      0.0317                 1.6767                 1.5088
 RamAct Fr= 1--     16.8496                 0.9039                 1.9647
  Dep-P Fr= 1--      0.0749                 0.7465                 0.4937
  Dep-U Fr= 1--      0.1393                 0.8548                 0.6611
 Alpha2 Fr= 1--      0.3136                 0.0001                 0.0100
 Beta2  Fr= 1--      0.3913                 0.1288                 0.2165
 AlphaG Fr= 1--      0.3736                -0.0001                -0.0352
 Gamma2 Fr= 1--      8.2446                 0.4247                -1.4739
 Delta2 Fr= 1--      0.2206                -0.1637                -0.2184
 Raman1 Fr= 1--      67.398                  3.616                  7.859
 ROA1   Fr= 1--     798.537                 35.527               -148.487
 CID1   Fr= 1--      11.848                  9.826                -18.894
 Raman2 Fr= 1--       4.695                  1.545                  2.598
 ROA2   Fr= 1--     196.105                 11.502                -33.627
 CID2   Fr= 1--      41.766                  7.442                -12.945
 Raman3 Fr= 1--       9.391                  3.091                  5.195
 ROA3   Fr= 1--     798.537                 35.527               -148.487
 CID3   Fr= 1--      85.035                 11.494                -28.581
 RC180  Fr= 1--      -0.721                  0.710                  0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.09   0.01    -0.11   0.04   0.00    -0.10   0.04   0.01
     2   6    -0.16  -0.08   0.00    -0.04  -0.11  -0.01     0.01  -0.09  -0.00
     3   7    -0.15  -0.00  -0.01    -0.04   0.03   0.02     0.01   0.07   0.01
     4  45     0.00  -0.00   0.00     0.04  -0.00   0.00     0.00   0.04   0.00
     5   7     0.15  -0.01   0.01    -0.04  -0.04   0.03    -0.01   0.07  -0.01
     6   6     0.16  -0.09  -0.00    -0.03   0.12  -0.01    -0.02  -0.08   0.00
     7   6     0.14  -0.10  -0.01    -0.11  -0.04   0.00     0.09   0.03  -0.01
     8   7     0.09  -0.11  -0.03     0.05   0.04  -0.00    -0.03  -0.04   0.06
     9   7    -0.09  -0.11   0.03     0.04  -0.04   0.00     0.03  -0.04  -0.06
    10   7    -0.01   0.12   0.05    -0.00   0.03  -0.02     0.01  -0.04  -0.04
    11   6    -0.01   0.18  -0.02    -0.00   0.01   0.01    -0.01  -0.06  -0.02
    12   1     0.13  -0.05   0.02    -0.14  -0.24   0.10     0.12   0.17  -0.12
    13   1     0.16  -0.11  -0.01    -0.30  -0.00  -0.12     0.25  -0.01   0.09
    14   1     0.09  -0.12  -0.01     0.12   0.23  -0.13    -0.16  -0.18   0.09
    15   1     0.20  -0.12   0.00    -0.15   0.27   0.10     0.08  -0.21  -0.09
    16   1    -0.10  -0.11   0.01     0.09  -0.21  -0.12     0.16  -0.20  -0.10
    17   1    -0.20  -0.11  -0.00    -0.15  -0.24   0.09    -0.11  -0.23   0.10
    18   1    -0.14  -0.05  -0.02    -0.12   0.22   0.09    -0.13   0.20   0.13
    19   1    -0.17  -0.11   0.01    -0.27   0.01  -0.10    -0.28   0.01  -0.10
    20   1    -0.08  -0.10   0.03     0.11   0.02  -0.08     0.07   0.02  -0.23
    21   1    -0.09  -0.11   0.03     0.08  -0.12   0.01     0.10  -0.19  -0.04
    22   1    -0.13   0.00   0.03     0.02   0.05   0.14     0.10   0.10   0.12
    23   1    -0.16   0.04  -0.02    -0.10   0.13   0.01    -0.05   0.16   0.00
    24   1     0.12  -0.00  -0.03     0.03  -0.06   0.17    -0.10   0.10  -0.11
    25   1     0.16   0.04   0.02    -0.12  -0.15   0.01     0.05   0.15  -0.00
    26   1     0.08  -0.10  -0.03     0.12  -0.03  -0.10    -0.06   0.02   0.22
    27   1     0.09  -0.11  -0.03     0.10   0.13   0.01    -0.10  -0.18   0.05
    28   6     0.02   0.18   0.02    -0.00  -0.01   0.00     0.01  -0.06   0.02
    29   7     0.01   0.12  -0.05    -0.00  -0.02  -0.02    -0.01  -0.04   0.04
    30   1    -0.01   0.13   0.04    -0.01   0.06  -0.07     0.02  -0.04  -0.02
    31   1    -0.03   0.07   0.05    -0.05   0.03   0.00     0.02  -0.05  -0.05
    32   1     0.02   0.25  -0.06    -0.00  -0.01   0.01     0.01  -0.06  -0.05
    33   1    -0.06   0.13  -0.10    -0.00   0.03   0.03    -0.04  -0.05  -0.01
    34   1     0.07   0.13   0.10    -0.01  -0.02   0.02     0.04  -0.05   0.01
    35   1    -0.01   0.25   0.06     0.00   0.01  -0.00    -0.01  -0.05   0.05
    36   1     0.01   0.13  -0.05    -0.01  -0.06  -0.07    -0.02  -0.05   0.01
    37   1     0.02   0.07  -0.05    -0.04  -0.02  -0.00    -0.03  -0.05   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    306.5561               330.0604               331.5285
 Red. masses --      1.8432                 3.0968                 3.1757
 Frc consts  --      0.1021                 0.1988                 0.2057
 IR Inten    --      0.7089                 6.2467                 7.4720
 RamAct Fr= 1--      1.3153                 2.4515                 2.3835
  Dep-P Fr= 1--      0.1543                 0.7475                 0.7495
  Dep-U Fr= 1--      0.2674                 0.8555                 0.8568
 Alpha2 Fr= 1--      0.0201                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0586                 0.3495                 0.3404
 AlphaG Fr= 1--      0.0640                -0.0022                -0.0003
 Gamma2 Fr= 1--      0.2188                -2.5610                -3.6823
 Delta2 Fr= 1--     -0.1001                -0.1461                -0.0943
 Raman1 Fr= 1--       5.261                  9.806                  9.534
 ROA1   Fr= 1--      17.796               -250.527               -356.522
 CID1   Fr= 1--       3.383                -25.548                -37.395
 Raman2 Fr= 1--       0.703                  4.194                  4.084
 ROA2   Fr= 1--       6.051                -60.295                -87.622
 CID2   Fr= 1--       8.602                -14.375                -21.453
 Raman3 Fr= 1--       1.407                  8.389                  8.169
 ROA3   Fr= 1--      17.796               -250.527               -356.522
 CID3   Fr= 1--      12.649                -29.864                -43.644
 RC180  Fr= 1--      -0.465                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.01    -0.02  -0.06  -0.00    -0.02  -0.10   0.00
     2   6     0.02  -0.01   0.01     0.00   0.03  -0.00    -0.12   0.03   0.00
     3   7     0.01   0.01   0.04     0.02  -0.00  -0.09    -0.10  -0.06  -0.06
     4  45     0.00  -0.02  -0.00    -0.02   0.08   0.00     0.09   0.02  -0.00
     5   7    -0.01   0.01  -0.04     0.03  -0.03   0.10    -0.09   0.05  -0.00
     6   6    -0.02  -0.00  -0.01     0.06   0.03  -0.00    -0.11  -0.00   0.00
     7   6    -0.03   0.03  -0.01     0.03  -0.10   0.00    -0.01   0.06   0.00
     8   7    -0.03   0.03  -0.01     0.11  -0.04  -0.02    -0.03   0.02   0.09
     9   7     0.03   0.03   0.01    -0.08  -0.02  -0.02    -0.08  -0.03   0.10
    10   7     0.07  -0.04   0.05     0.06  -0.10  -0.01    -0.00   0.02  -0.06
    11   6    -0.04   0.06  -0.10    -0.03  -0.08  -0.06    -0.00  -0.01  -0.02
    12   1    -0.03   0.03  -0.01     0.00  -0.21   0.08     0.03   0.10  -0.11
    13   1    -0.03   0.04  -0.00    -0.09  -0.09  -0.08     0.08   0.04   0.06
    14   1    -0.03  -0.02   0.03     0.12   0.10  -0.13    -0.16  -0.05   0.05
    15   1     0.00  -0.03  -0.03    -0.02   0.14   0.07    -0.07  -0.07  -0.06
    16   1     0.03  -0.02  -0.03    -0.02   0.07   0.09    -0.20   0.11   0.11
    17   1    -0.01  -0.03   0.03     0.06   0.09  -0.04    -0.04   0.14  -0.09
    18   1     0.03   0.04   0.01    -0.02  -0.14  -0.02     0.02  -0.20  -0.14
    19   1     0.03   0.04  -0.00     0.04  -0.06   0.04     0.12  -0.08   0.10
    20   1     0.04   0.04   0.01    -0.14  -0.06  -0.05    -0.11  -0.09   0.30
    21   1     0.02   0.03   0.01    -0.06  -0.03  -0.02    -0.21   0.14   0.07
    22   1     0.02   0.00   0.10     0.01   0.01  -0.26    -0.17  -0.08  -0.18
    23   1    -0.01   0.06   0.03     0.09  -0.17  -0.07    -0.04  -0.20  -0.04
    24   1    -0.02   0.00  -0.10     0.07  -0.03   0.31    -0.15   0.08  -0.03
    25   1     0.01   0.06  -0.03    -0.07  -0.23   0.08    -0.08   0.09   0.00
    26   1    -0.04   0.04  -0.02     0.16  -0.10  -0.09    -0.02   0.05   0.28
    27   1    -0.02   0.03  -0.01     0.16   0.03  -0.02    -0.16  -0.13   0.07
    28   6     0.05   0.06   0.10     0.02  -0.08   0.06     0.01  -0.03   0.01
    29   7    -0.08  -0.04  -0.06    -0.06  -0.08   0.04    -0.04  -0.07  -0.05
    30   1     0.13  -0.04   0.24     0.10  -0.14   0.16    -0.02   0.07  -0.15
    31   1     0.23  -0.15  -0.05     0.20  -0.16  -0.09    -0.10   0.00  -0.01
    32   1     0.07   0.29  -0.23     0.03   0.02  -0.13     0.02  -0.02  -0.04
    33   1    -0.26  -0.02  -0.26    -0.15  -0.10  -0.11    -0.03   0.02   0.01
    34   1     0.26  -0.03   0.26     0.15  -0.09   0.09     0.04  -0.07   0.06
    35   1    -0.05   0.30   0.23    -0.04   0.01   0.14     0.00   0.03   0.02
    36   1    -0.13  -0.04  -0.25    -0.08  -0.08  -0.06    -0.08  -0.12  -0.21
    37   1    -0.25  -0.14   0.05    -0.13  -0.13   0.09    -0.19  -0.07   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    400.7955               402.0299               404.3493
 Red. masses --      4.4782                 3.7781                 4.5721
 Frc consts  --      0.4238                 0.3598                 0.4404
 IR Inten    --      1.4590                 0.4357                 1.8170
 RamAct Fr= 1--      0.8490                 4.3546                 3.7979
  Dep-P Fr= 1--      0.7492                 0.7438                 0.7500
  Dep-U Fr= 1--      0.8566                 0.8531                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.1212                 0.6191                 0.5425
 AlphaG Fr= 1--      0.0001                 0.0065                 0.0000
 Gamma2 Fr= 1--     -0.5622                 0.9508                -1.0002
 Delta2 Fr= 1--     -0.0450                 0.0827                 0.1580
 Raman1 Fr= 1--       3.396                 17.419                 15.192
 ROA1   Fr= 1--     -55.407                 93.925                -90.964
 CID1   Fr= 1--     -16.314                  5.392                 -5.988
 Raman2 Fr= 1--       1.455                  7.430                  6.511
 ROA2   Fr= 1--     -13.132                 22.159                -25.270
 CID2   Fr= 1--      -9.028                  2.982                 -3.881
 Raman3 Fr= 1--       2.909                 14.860                 13.021
 ROA3   Fr= 1--     -55.407                 93.925                -90.964
 CID3   Fr= 1--     -19.046                  6.321                 -6.986
 RC180  Fr= 1--       0.713                  0.706                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.04     0.08   0.04   0.07    -0.09  -0.04  -0.05
     2   6     0.05   0.03  -0.04    -0.09  -0.06   0.06     0.05   0.03  -0.05
     3   7     0.05   0.09  -0.05    -0.10  -0.15   0.09     0.06   0.09  -0.04
     4  45    -0.02  -0.00   0.10    -0.00   0.07   0.00     0.08   0.00   0.04
     5   7     0.04  -0.07  -0.04     0.09  -0.15  -0.08     0.07  -0.12  -0.06
     6   6     0.04  -0.03  -0.03     0.08  -0.07  -0.06     0.06  -0.04  -0.06
     7   6    -0.03   0.01  -0.03    -0.07   0.04  -0.06    -0.10   0.05  -0.06
     8   7    -0.08  -0.01  -0.04    -0.14   0.01  -0.06    -0.18   0.01  -0.10
     9   7    -0.09   0.01  -0.05     0.15   0.00   0.07    -0.16  -0.01  -0.09
    10   7     0.06   0.18  -0.12    -0.02  -0.00   0.00    -0.06  -0.12   0.10
    11   6     0.08   0.12  -0.04     0.01  -0.01   0.00    -0.04  -0.07   0.02
    12   1    -0.05   0.06   0.02    -0.11   0.06   0.06    -0.15   0.10   0.08
    13   1    -0.02   0.00  -0.04    -0.10   0.02  -0.11    -0.13   0.04  -0.11
    14   1     0.08  -0.03   0.03     0.13  -0.09   0.08     0.11  -0.07   0.06
    15   1     0.03  -0.03  -0.04     0.09  -0.11  -0.11     0.07  -0.07  -0.10
    16   1     0.10   0.03   0.04    -0.14  -0.09  -0.09     0.09   0.05   0.05
    17   1     0.04   0.04  -0.05    -0.10  -0.11   0.12     0.06   0.05  -0.09
    18   1    -0.06  -0.07   0.03     0.13   0.07  -0.06    -0.14  -0.08   0.07
    19   1    -0.03  -0.00  -0.05     0.11   0.02   0.12    -0.12  -0.03  -0.10
    20   1    -0.15  -0.01  -0.12     0.13   0.03  -0.14    -0.19  -0.04  -0.02
    21   1    -0.01  -0.02  -0.03     0.27  -0.14   0.09    -0.23   0.04  -0.10
    22   1     0.11   0.12  -0.14    -0.11  -0.13  -0.10     0.06   0.08   0.05
    23   1     0.05  -0.00  -0.04    -0.07  -0.33   0.11    -0.01   0.15  -0.05
    24   1     0.09  -0.11  -0.15     0.11  -0.13   0.08     0.08  -0.10   0.06
    25   1     0.04   0.03  -0.02     0.06  -0.31  -0.11    -0.00  -0.20  -0.07
    26   1    -0.14   0.02  -0.14    -0.11   0.03   0.13    -0.20   0.05  -0.00
    27   1     0.02   0.03  -0.02    -0.24  -0.12  -0.08    -0.27  -0.05  -0.11
    28   6     0.07  -0.12  -0.04     0.00  -0.03  -0.01    -0.04   0.08   0.02
    29   7     0.05  -0.18  -0.12     0.03  -0.04  -0.02    -0.05   0.12   0.10
    30   1     0.01   0.22  -0.30    -0.02  -0.06   0.02    -0.08  -0.08   0.02
    31   1    -0.11   0.19  -0.02    -0.01  -0.00  -0.00    -0.14  -0.20   0.13
    32   1     0.13   0.15  -0.10     0.01  -0.02   0.01    -0.06  -0.07   0.04
    33   1    -0.08   0.20   0.03     0.02  -0.01   0.01     0.04  -0.14  -0.05
    34   1    -0.09  -0.19   0.03    -0.03  -0.04  -0.00     0.04   0.13  -0.05
    35   1     0.12  -0.15  -0.10     0.01  -0.04  -0.02    -0.06   0.07   0.04
    36   1    -0.00  -0.21  -0.30     0.03  -0.09  -0.05    -0.07   0.08   0.02
    37   1    -0.13  -0.18  -0.02     0.01  -0.04  -0.01    -0.13   0.20   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.5852               464.1120               503.6166
 Red. masses --      3.8719                 4.1367                 4.3001
 Frc consts  --      0.4839                 0.5250                 0.6426
 IR Inten    --      6.8792                 7.8452                 0.0002
 RamAct Fr= 1--      4.6176                 4.9877                49.4396
  Dep-P Fr= 1--      0.7500                 0.7335                 0.0019
  Dep-U Fr= 1--      0.8571                 0.8463                 0.0038
 Alpha2 Fr= 1--      0.0000                 0.0014                 1.0938
 Beta2  Fr= 1--      0.6596                 0.7035                 0.0310
 AlphaG Fr= 1--     -0.0000                 0.0248                -0.2204
 Gamma2 Fr= 1--      1.1496                 1.2682                -0.4030
 Delta2 Fr= 1--      0.2347                 0.0404                 0.0824
 Raman1 Fr= 1--      18.471                 19.951                197.758
 ROA1   Fr= 1--     117.872                123.039                -36.051
 CID1   Fr= 1--       6.382                  6.167                 -0.182
 Raman2 Fr= 1--       7.916                  8.442                  0.372
 ROA2   Fr= 1--      25.713                 30.113                -10.331
 CID2   Fr= 1--       3.248                  3.567                -27.792
 Raman3 Fr= 1--      15.832                 16.884                  0.743
 ROA3   Fr= 1--     117.872                123.039                -36.051
 CID3   Fr= 1--       7.445                  7.287                -48.490
 RC180  Fr= 1--       0.714                  0.693                 -0.992
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.01   0.01  -0.01     0.00  -0.02   0.01
     2   6     0.02  -0.02   0.02     0.04   0.00  -0.01    -0.02   0.01  -0.00
     3   7    -0.03  -0.18   0.18     0.01  -0.03   0.07     0.02   0.14  -0.15
     4  45     0.03   0.00  -0.01    -0.00   0.03   0.00     0.00   0.00  -0.00
     5   7    -0.02   0.17   0.17    -0.01  -0.05  -0.09    -0.02   0.14   0.15
     6   6     0.01   0.02   0.02    -0.04   0.00   0.00     0.02   0.01   0.00
     7   6     0.02  -0.04   0.01     0.01   0.01   0.01    -0.00  -0.02  -0.01
     8   7    -0.10  -0.06  -0.15     0.12   0.04   0.13    -0.14  -0.05  -0.15
     9   7    -0.11   0.07  -0.16    -0.11   0.04  -0.11     0.14  -0.06   0.15
    10   7     0.01   0.02   0.01    -0.15  -0.10   0.21    -0.09  -0.08   0.15
    11   6     0.02   0.04  -0.01     0.00   0.02   0.04     0.00   0.01   0.02
    12   1    -0.01   0.08   0.07     0.04  -0.08  -0.07    -0.04   0.11   0.06
    13   1     0.05  -0.06   0.01    -0.00   0.04   0.03     0.03  -0.05  -0.02
    14   1    -0.11   0.01  -0.10     0.03   0.02   0.04    -0.11  -0.03  -0.07
    15   1     0.04   0.02   0.05    -0.04   0.01   0.00     0.06  -0.02   0.00
    16   1    -0.12   0.00  -0.10    -0.01   0.02  -0.03     0.10  -0.03   0.07
    17   1     0.05  -0.02   0.05     0.04   0.01  -0.01    -0.06  -0.02  -0.00
    18   1    -0.02  -0.09   0.07    -0.05  -0.07   0.06     0.04   0.10  -0.06
    19   1     0.05   0.06   0.00     0.00   0.03  -0.03    -0.04  -0.05   0.02
    20   1    -0.14   0.06  -0.26    -0.15   0.03  -0.16     0.15  -0.06   0.20
    21   1    -0.13  -0.06  -0.17    -0.10  -0.02  -0.11     0.12   0.02   0.14
    22   1    -0.08  -0.21   0.30     0.01  -0.04   0.11     0.03   0.15  -0.19
    23   1    -0.12  -0.09   0.17    -0.05  -0.02   0.07     0.10   0.09  -0.15
    24   1    -0.07   0.21   0.28    -0.00  -0.06  -0.15    -0.02   0.15   0.20
    25   1    -0.11   0.09   0.16     0.07  -0.03  -0.09    -0.09   0.10   0.15
    26   1    -0.13  -0.05  -0.25     0.16   0.03   0.19    -0.15  -0.05  -0.20
    27   1    -0.11   0.07  -0.15     0.12  -0.04   0.13    -0.12   0.03  -0.15
    28   6     0.02  -0.03  -0.01    -0.01   0.03  -0.04    -0.00   0.01  -0.02
    29   7     0.02  -0.03  -0.01     0.14  -0.11  -0.21     0.09  -0.09  -0.15
    30   1    -0.01   0.03  -0.08    -0.19  -0.20   0.12    -0.13  -0.10   0.03
    31   1    -0.07  -0.00   0.05    -0.22  -0.14   0.25    -0.18  -0.10   0.20
    32   1     0.05   0.09  -0.04    -0.01   0.06   0.05    -0.00   0.06   0.02
    33   1    -0.04   0.02  -0.04     0.07  -0.10  -0.11     0.03  -0.08  -0.09
    34   1    -0.05  -0.03  -0.03    -0.07  -0.09   0.11    -0.03  -0.08   0.09
    35   1     0.05  -0.08  -0.04     0.01   0.07  -0.05     0.00   0.06  -0.02
    36   1     0.00  -0.05  -0.09     0.18  -0.20  -0.11     0.13  -0.10  -0.03
    37   1    -0.05  -0.01   0.03     0.23  -0.15  -0.26     0.17  -0.11  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    534.0340               543.7142               558.9321
 Red. masses --      1.6472                 1.7309                 1.8293
 Frc consts  --      0.2768                 0.3015                 0.3367
 IR Inten    --      2.3516                 2.1009                 3.5653
 RamAct Fr= 1--      0.1226                 0.3319                 0.3946
  Dep-P Fr= 1--      0.7496                 0.7500                 0.6566
  Dep-U Fr= 1--      0.8569                 0.8571                 0.7927
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0175                 0.0474                 0.0521
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0065
 Gamma2 Fr= 1--     -0.2726                 0.5689                -1.1051
 Delta2 Fr= 1--     -0.0469                 0.2965                -0.1910
 Raman1 Fr= 1--       0.490                  1.328                  1.578
 ROA1   Fr= 1--     -27.670                 64.108               -112.199
 CID1   Fr= 1--     -56.415                 48.282                -71.082
 Raman2 Fr= 1--       0.210                  0.569                  0.626
 ROA2   Fr= 1--      -6.168                 11.282                -24.994
 CID2   Fr= 1--     -29.351                 19.827                -39.953
 Raman3 Fr= 1--       0.420                  1.138                  1.251
 ROA3   Fr= 1--     -27.670                 64.108               -112.199
 CID3   Fr= 1--     -65.839                 56.331                -89.674
 RC180  Fr= 1--       0.714                  0.714                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.06    -0.00  -0.00   0.00     0.05   0.04   0.06
     2   6     0.06   0.03  -0.06     0.00   0.00  -0.00    -0.05  -0.02   0.06
     3   7     0.03  -0.05   0.05     0.00   0.00  -0.01    -0.02   0.06  -0.07
     4  45    -0.01  -0.00  -0.00    -0.01  -0.00  -0.02    -0.00  -0.03   0.00
     5   7     0.03   0.05   0.06     0.00  -0.00  -0.01     0.02   0.05   0.07
     6   6     0.06  -0.03  -0.06     0.00  -0.00  -0.00     0.05  -0.02  -0.06
     7   6    -0.05   0.03  -0.06    -0.00   0.00  -0.00    -0.05   0.04  -0.06
     8   7     0.02   0.04   0.05     0.02   0.01   0.02     0.04   0.05   0.07
     9   7     0.02  -0.04   0.04     0.02  -0.01   0.02    -0.04   0.05  -0.07
    10   7     0.00   0.02  -0.02    -0.05  -0.00   0.10     0.00   0.01  -0.00
    11   6     0.00   0.00   0.00     0.08   0.08  -0.02    -0.00   0.00   0.00
    12   1    -0.10  -0.15   0.09     0.00  -0.04   0.00    -0.09  -0.18   0.09
    13   1    -0.23   0.05  -0.19    -0.02   0.01  -0.01    -0.25   0.07  -0.20
    14   1    -0.10  -0.16   0.09    -0.01  -0.02   0.02    -0.13  -0.16   0.10
    15   1     0.17  -0.19  -0.18     0.02  -0.02  -0.02     0.16  -0.20  -0.20
    16   1    -0.09   0.15   0.08    -0.01   0.02   0.02     0.12  -0.17  -0.10
    17   1     0.17   0.17  -0.17     0.02   0.02  -0.01    -0.18  -0.20   0.21
    18   1    -0.09   0.15   0.09     0.00   0.03  -0.00     0.09  -0.19  -0.10
    19   1    -0.22  -0.04  -0.19    -0.02  -0.01  -0.01     0.26   0.06   0.21
    20   1     0.06  -0.05   0.25     0.02  -0.01   0.05    -0.04   0.08  -0.21
    21   1    -0.06   0.15   0.03    -0.00   0.02   0.02    -0.01  -0.11  -0.06
    22   1     0.01  -0.08   0.24    -0.02  -0.02   0.09    -0.03   0.07  -0.22
    23   1    -0.09   0.11   0.03     0.01   0.11  -0.03     0.11  -0.07  -0.05
    24   1     0.02   0.09   0.25    -0.01   0.02   0.10     0.03   0.07   0.21
    25   1    -0.10  -0.11   0.04    -0.00  -0.11  -0.03    -0.11  -0.06   0.05
    26   1     0.06   0.05   0.25     0.03   0.01   0.06     0.04   0.07   0.20
    27   1    -0.07  -0.15   0.03    -0.00  -0.02   0.02     0.01  -0.11   0.06
    28   6     0.00  -0.00   0.00     0.08  -0.08  -0.02    -0.00   0.00   0.00
    29   7     0.00  -0.02  -0.02    -0.05   0.00   0.10    -0.00   0.01   0.00
    30   1     0.02  -0.03   0.07    -0.13  -0.06  -0.15    -0.01   0.03  -0.05
    31   1     0.09   0.04  -0.07    -0.26  -0.01   0.22    -0.04  -0.00   0.02
    32   1    -0.01  -0.03   0.01     0.22   0.33  -0.19    -0.00   0.00   0.00
    33   1     0.02   0.02   0.03    -0.21  -0.01  -0.21    -0.00   0.00   0.00
    34   1     0.02  -0.02   0.03    -0.21   0.02  -0.21     0.01   0.00  -0.00
    35   1    -0.00   0.03   0.01     0.21  -0.34  -0.19    -0.00   0.01   0.00
    36   1     0.03   0.03   0.07    -0.13   0.07  -0.14     0.01   0.03   0.05
    37   1     0.09  -0.05  -0.07    -0.26   0.03   0.22     0.04  -0.00  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    680.5897               686.1545               714.9917
 Red. masses --      1.3007                 1.3081                 1.2854
 Frc consts  --      0.3550                 0.3629                 0.3871
 IR Inten    --      1.8806                 0.8007                 1.2751
 RamAct Fr= 1--      1.5639                 0.0144                 1.0201
  Dep-P Fr= 1--      0.0361                 0.7085                 0.6752
  Dep-U Fr= 1--      0.0697                 0.8294                 0.8061
 Alpha2 Fr= 1--      0.0319                 0.0000                 0.0014
 Beta2  Fr= 1--      0.0182                 0.0020                 0.1370
 AlphaG Fr= 1--      0.0154                -0.0001                 0.0800
 Gamma2 Fr= 1--      1.3364                 0.6864                -4.6226
 Delta2 Fr= 1--     -0.1083                -0.0278                 0.1533
 Raman1 Fr= 1--       6.256                  0.058                  4.080
 ROA1   Fr= 1--     124.829                 65.009               -438.860
 CID1   Fr= 1--      19.954               1129.849               -107.554
 Raman2 Fr= 1--       0.218                  0.024                  1.645
 ROA2   Fr= 1--      32.940                 16.697               -112.168
 CID2   Fr= 1--     151.138                699.762                -68.206
 Raman3 Fr= 1--       0.436                  0.048                  3.289
 ROA3   Fr= 1--     124.829                 65.009               -438.860
 CID3   Fr= 1--     286.376               1362.262               -133.428
 RC180  Fr= 1--      -0.861                  0.659                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.01   0.00  -0.02    -0.01  -0.00   0.01
     2   6    -0.00   0.00  -0.02     0.02   0.01   0.00     0.00  -0.01  -0.01
     3   7     0.02   0.00  -0.02    -0.02   0.04   0.07     0.01  -0.03  -0.04
     4  45    -0.00  -0.01  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
     5   7    -0.02   0.00   0.02    -0.02  -0.04   0.07    -0.01  -0.03   0.03
     6   6     0.00   0.00   0.02     0.01  -0.01   0.00    -0.00  -0.01   0.01
     7   6     0.01  -0.00   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   7     0.03   0.02  -0.06     0.02   0.03  -0.04     0.02   0.03  -0.04
     9   7    -0.03   0.02   0.05     0.02  -0.03  -0.04    -0.02   0.03   0.04
    10   7    -0.07   0.01  -0.02    -0.01  -0.01   0.01     0.06  -0.01   0.02
    11   6    -0.01   0.01   0.00     0.01   0.01   0.01     0.01  -0.02  -0.00
    12   1     0.00  -0.06   0.05    -0.02  -0.07   0.06    -0.01  -0.05   0.03
    13   1    -0.06   0.04   0.00    -0.09   0.03  -0.06    -0.06   0.04  -0.01
    14   1     0.01   0.02  -0.03     0.06   0.03  -0.05     0.06   0.04  -0.04
    15   1    -0.03   0.03   0.04    -0.07   0.05   0.00    -0.08   0.06   0.04
    16   1    -0.01   0.02   0.03     0.06  -0.04  -0.05    -0.05   0.04   0.04
    17   1     0.02   0.03  -0.04    -0.07  -0.05   0.00     0.08   0.06  -0.04
    18   1    -0.00  -0.06  -0.04    -0.01   0.08   0.06     0.01  -0.05  -0.03
    19   1     0.06   0.03  -0.00    -0.09  -0.03  -0.06     0.07   0.04   0.01
    20   1    -0.11   0.03  -0.28     0.08  -0.04   0.24    -0.08   0.04  -0.24
    21   1     0.28  -0.16   0.11    -0.21   0.15  -0.09     0.21  -0.16   0.09
    22   1     0.00  -0.01   0.06     0.05   0.13  -0.35    -0.00  -0.07   0.22
    23   1    -0.03   0.07  -0.03    -0.01  -0.38   0.14    -0.03   0.23  -0.08
    24   1     0.00  -0.02  -0.09     0.04  -0.13  -0.35    -0.00  -0.07  -0.21
    25   1     0.03   0.09   0.03     0.01   0.39   0.14     0.04   0.22   0.08
    26   1     0.12   0.03   0.30     0.08   0.03   0.22     0.08   0.03   0.24
    27   1    -0.30  -0.15  -0.11    -0.20  -0.14  -0.08    -0.21  -0.15  -0.09
    28   6     0.01   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.00
    29   7     0.07   0.01   0.02    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    30   1     0.00  -0.14   0.32    -0.01   0.00  -0.01    -0.00   0.13  -0.29
    31   1     0.25   0.09  -0.19    -0.02   0.02   0.02    -0.23  -0.05   0.18
    32   1    -0.02  -0.09   0.02     0.04   0.05  -0.03     0.03   0.09  -0.02
    33   1     0.07   0.03   0.04    -0.05  -0.01  -0.03    -0.08  -0.03  -0.04
    34   1    -0.07   0.03  -0.04    -0.05   0.01  -0.02     0.08  -0.03   0.04
    35   1     0.02  -0.10  -0.02     0.04  -0.05  -0.03    -0.02   0.09   0.02
    36   1    -0.01  -0.14  -0.32    -0.01   0.01   0.01     0.01   0.13   0.29
    37   1    -0.24   0.09   0.19    -0.00  -0.02   0.00     0.23  -0.06  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    742.5321               745.3809               767.8988
 Red. masses --      1.4607                 1.3937                 1.4360
 Frc consts  --      0.4745                 0.4562                 0.4989
 IR Inten    --      9.6791                 2.4171                16.6214
 RamAct Fr= 1--      0.0565                 1.1204                 0.6846
  Dep-P Fr= 1--      0.7497                 0.6172                 0.7496
  Dep-U Fr= 1--      0.8570                 0.7633                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0027                 0.0000
 Beta2  Fr= 1--      0.0081                 0.1425                 0.0978
 AlphaG Fr= 1--      0.0000                 0.0078                 0.0000
 Gamma2 Fr= 1--     -0.8409                 4.6368                 1.3669
 Delta2 Fr= 1--      0.0098                -0.0177                -0.0473
 Raman1 Fr= 1--       0.226                  4.482                  2.738
 ROA1   Fr= 1--     -80.417                444.565                129.708
 CID1   Fr= 1--    -355.790                 99.196                 47.370
 Raman2 Fr= 1--       0.097                  1.710                  1.173
 ROA2   Fr= 1--     -20.261                111.424                 33.184
 CID2   Fr= 1--    -209.201                 65.146                 28.287
 Raman3 Fr= 1--       0.194                  3.421                  2.346
 ROA3   Fr= 1--     -80.417                444.565                129.708
 CID3   Fr= 1--    -415.168                129.962                 55.283
 RC180  Fr= 1--       0.714                  0.527                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.01   0.01   0.03    -0.02  -0.02  -0.02
     2   6    -0.03   0.01   0.02    -0.03  -0.01   0.02     0.01  -0.01  -0.02
     3   7     0.01  -0.01  -0.03     0.00  -0.06  -0.07    -0.00   0.02   0.04
     4  45     0.01  -0.00   0.02     0.00   0.01   0.00     0.02  -0.00  -0.01
     5   7     0.01   0.01  -0.04    -0.00  -0.06   0.07    -0.00  -0.02   0.04
     6   6    -0.03  -0.01   0.02     0.02  -0.01  -0.02     0.01   0.01  -0.02
     7   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.02   0.02  -0.02
     8   7     0.01   0.02  -0.05    -0.03  -0.01   0.04    -0.04  -0.03   0.06
     9   7     0.00  -0.02  -0.05     0.03  -0.01  -0.04    -0.04   0.03   0.06
    10   7    -0.08   0.03  -0.01    -0.03   0.00  -0.01    -0.06  -0.00  -0.01
    11   6     0.04   0.02  -0.01    -0.01  -0.00  -0.00     0.03   0.02   0.02
    12   1     0.02   0.04  -0.06    -0.03  -0.01   0.05    -0.03   0.03   0.01
    13   1     0.06   0.01   0.12    -0.05  -0.01  -0.12    -0.00  -0.03  -0.09
    14   1     0.04   0.05  -0.07     0.05  -0.01   0.01    -0.01  -0.03   0.06
    15   1    -0.05   0.07   0.12    -0.04  -0.01  -0.10     0.02  -0.05  -0.12
    16   1     0.04  -0.05  -0.07    -0.05  -0.00  -0.01    -0.01   0.03   0.06
    17   1    -0.05  -0.07   0.11     0.03  -0.01   0.10     0.02   0.05  -0.12
    18   1     0.02  -0.04  -0.06     0.03  -0.02  -0.05    -0.03  -0.03   0.01
    19   1     0.05  -0.01   0.11     0.05  -0.01   0.12     0.00   0.03  -0.10
    20   1     0.09  -0.00   0.17     0.09  -0.00   0.17    -0.12   0.04  -0.28
    21   1    -0.17   0.09  -0.08    -0.21   0.08  -0.08     0.29  -0.16   0.12
    22   1    -0.05  -0.05   0.10    -0.04  -0.13   0.34     0.04   0.07  -0.15
    23   1     0.03   0.12  -0.05     0.03   0.41  -0.15    -0.03  -0.18   0.08
    24   1    -0.05   0.06   0.11     0.04  -0.13  -0.34     0.04  -0.07  -0.14
    25   1     0.02  -0.14  -0.06    -0.01   0.40   0.15    -0.02   0.18   0.07
    26   1     0.09  -0.00   0.17    -0.09  -0.00  -0.17    -0.12  -0.04  -0.28
    27   1    -0.18  -0.08  -0.09     0.21   0.08   0.08     0.29   0.15   0.12
    28   6     0.04  -0.02  -0.01     0.01  -0.01   0.00     0.02  -0.02   0.02
    29   7    -0.08  -0.03  -0.01     0.03  -0.00   0.00    -0.06   0.01  -0.01
    30   1    -0.02  -0.22   0.35     0.00  -0.05   0.13    -0.02  -0.15   0.23
    31   1     0.26   0.11  -0.20     0.09   0.02  -0.08     0.18   0.10  -0.14
    32   1     0.11   0.00  -0.09    -0.01  -0.05   0.00     0.12   0.05  -0.09
    33   1    -0.03   0.04   0.00     0.02   0.01   0.02    -0.08   0.00  -0.02
    34   1    -0.03  -0.04   0.00    -0.03   0.01  -0.02    -0.08  -0.00  -0.02
    35   1     0.11  -0.01  -0.09     0.01  -0.05  -0.01     0.12  -0.06  -0.09
    36   1    -0.01   0.22   0.35    -0.00  -0.04  -0.12    -0.01   0.15   0.23
    37   1     0.25  -0.12  -0.20    -0.08   0.01   0.07     0.18  -0.11  -0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2363               866.3049               867.6155
 Red. masses --      3.2179                 3.1894                 3.1366
 Frc consts  --      1.4226                 1.4103                 1.3911
 IR Inten    --     10.3393                10.1638                 0.0085
 RamAct Fr= 1--      1.1074                 0.8759                 8.8784
  Dep-P Fr= 1--      0.7411                 0.7435                 0.0495
  Dep-U Fr= 1--      0.8513                 0.8529                 0.0944
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.1756
 Beta2  Fr= 1--      0.1571                 0.1245                 0.1396
 AlphaG Fr= 1--     -0.0004                 0.0007                -0.1261
 Gamma2 Fr= 1--      0.3182                 0.7940                -1.0467
 Delta2 Fr= 1--      0.4823                 0.6729                -2.1093
 Raman1 Fr= 1--       4.430                  3.503                 35.514
 ROA1   Fr= 1--      45.981                 97.761               -167.978
 CID1   Fr= 1--      10.380                 27.904                 -4.730
 Raman2 Fr= 1--       1.886                  1.494                  1.676
 ROA2   Fr= 1--       3.779                 13.674                 -8.246
 CID2   Fr= 1--       2.004                  9.152                 -4.921
 Raman3 Fr= 1--       3.771                  2.988                  3.351
 ROA3   Fr= 1--      45.981                 97.761               -167.978
 CID3   Fr= 1--      12.193                 32.716                -50.124
 RC180  Fr= 1--       0.703                  0.706                 -0.811
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.08     0.08   0.07   0.09     0.10   0.05   0.10
     2   6     0.09   0.05  -0.09     0.10   0.05  -0.09     0.12   0.03  -0.08
     3   7    -0.08  -0.01  -0.03    -0.08  -0.01  -0.04    -0.12   0.00  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.12   0.01  -0.05     0.03  -0.00   0.02     0.13  -0.00   0.05
     6   6     0.14  -0.07  -0.13    -0.03   0.02   0.03    -0.12   0.02   0.06
     7   6     0.11  -0.11   0.12    -0.03   0.02  -0.03    -0.10   0.04  -0.10
     8   7    -0.07   0.13   0.06     0.01  -0.03  -0.01     0.04  -0.04  -0.02
     9   7    -0.06  -0.09   0.05    -0.05  -0.09   0.04    -0.05  -0.06   0.03
    10   7    -0.00   0.01   0.00     0.03  -0.12  -0.08    -0.02   0.08   0.04
    11   6    -0.04  -0.04   0.03     0.13   0.15  -0.01    -0.09  -0.10   0.02
    12   1     0.03  -0.06   0.34    -0.01   0.02  -0.09    -0.01   0.10  -0.38
    13   1    -0.03  -0.05   0.08     0.01   0.01  -0.02     0.10   0.01   0.04
    14   1     0.10   0.01  -0.42    -0.02   0.00   0.09    -0.04   0.02   0.17
    15   1     0.01   0.08  -0.03    -0.00  -0.02   0.01    -0.04  -0.01   0.10
    16   1     0.07  -0.01  -0.30     0.07  -0.01  -0.30     0.06   0.01  -0.23
    17   1    -0.00  -0.06  -0.02     0.00  -0.06  -0.02     0.03  -0.03  -0.08
    18   1     0.03   0.04   0.22     0.03   0.04   0.24     0.02   0.09   0.36
    19   1    -0.01   0.04   0.06    -0.02   0.03   0.06    -0.08   0.02  -0.01
    20   1    -0.05  -0.07  -0.02    -0.04  -0.07   0.00    -0.07  -0.06  -0.01
    21   1    -0.08  -0.18   0.05    -0.10  -0.17   0.03    -0.11  -0.15   0.02
    22   1    -0.08  -0.01   0.01    -0.09  -0.02   0.03    -0.10   0.01  -0.03
    23   1    -0.18  -0.01  -0.03    -0.19   0.02  -0.04    -0.20  -0.01  -0.04
    24   1    -0.12   0.02   0.02     0.03  -0.01  -0.02     0.09   0.01   0.03
    25   1    -0.26   0.01  -0.05     0.06   0.02   0.02     0.19  -0.01   0.05
    26   1    -0.06   0.10  -0.02     0.01  -0.02  -0.01     0.06  -0.06   0.01
    27   1    -0.12   0.26   0.06     0.04  -0.05  -0.00     0.11  -0.13  -0.01
    28   6     0.03  -0.04   0.02    -0.12   0.16   0.03     0.08  -0.10  -0.01
    29   7     0.01   0.05  -0.04    -0.03  -0.11   0.07     0.03   0.08  -0.05
    30   1     0.01   0.06   0.02    -0.00  -0.25  -0.14     0.01   0.17   0.11
    31   1     0.01   0.03  -0.00    -0.02  -0.11  -0.06     0.03   0.05   0.01
    32   1     0.02   0.04  -0.03     0.08  -0.02   0.04    -0.05  -0.00  -0.03
    33   1    -0.17  -0.02   0.02     0.37   0.07  -0.08    -0.25  -0.04   0.06
    34   1     0.04  -0.02  -0.02    -0.41   0.09   0.08     0.22  -0.04  -0.06
    35   1     0.05  -0.03  -0.01    -0.06  -0.04  -0.05     0.06  -0.02   0.02
    36   1     0.01   0.07  -0.05    -0.00  -0.25   0.13     0.00   0.16  -0.13
    37   1     0.01   0.03  -0.03     0.02  -0.11   0.04    -0.03   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9118               872.6305               874.0421
 Red. masses --      2.5441                 2.4747                 2.5530
 Frc consts  --      1.1317                 1.1103                 1.1491
 IR Inten    --      2.0569                 0.0609                 3.0438
 RamAct Fr= 1--      2.0518                 3.2397                 0.5021
  Dep-P Fr= 1--      0.7294                 0.6498                 0.7480
  Dep-U Fr= 1--      0.8435                 0.7877                 0.8558
 Alpha2 Fr= 1--      0.0007                 0.0058                 0.0000
 Beta2  Fr= 1--      0.2885                 0.4253                 0.0716
 AlphaG Fr= 1--     -0.0005                 0.0001                 0.0000
 Gamma2 Fr= 1--      0.0585                -1.5463                 0.8603
 Delta2 Fr= 1--     -0.3690                -0.5428                 0.0867
 Raman1 Fr= 1--       8.207                 12.959                  2.008
 ROA1   Fr= 1--      -6.186               -165.809                 85.361
 CID1   Fr= 1--      -0.754                -12.795                 42.504
 Raman2 Fr= 1--       3.462                  5.104                  0.859
 ROA2   Fr= 1--       4.357                -32.768                 19.953
 CID2   Fr= 1--       1.259                 -6.420                 23.218
 Raman3 Fr= 1--       6.923                 10.208                  1.719
 ROA3   Fr= 1--      -6.186               -165.809                 85.361
 CID3   Fr= 1--      -0.894                -16.243                 49.665
 RC180  Fr= 1--       0.687                  0.575                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06  -0.07     0.03  -0.10   0.04     0.02  -0.06   0.03
     2   6    -0.07   0.06  -0.03     0.04  -0.09   0.07     0.02  -0.05   0.04
     3   7     0.12  -0.02   0.05    -0.10   0.02  -0.04    -0.06   0.00  -0.05
     4  45    -0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     5   7     0.12   0.01   0.05     0.09   0.02   0.05    -0.04   0.00  -0.04
     6   6    -0.06  -0.07  -0.04    -0.04  -0.09  -0.07     0.02   0.04   0.03
     7   6    -0.05  -0.07  -0.06    -0.03  -0.10  -0.04     0.01   0.04   0.03
     8   7    -0.03   0.09   0.05    -0.04   0.13   0.05     0.03  -0.04  -0.04
     9   7    -0.03  -0.07   0.04     0.05   0.12  -0.05     0.04   0.07  -0.05
    10   7     0.03  -0.08  -0.06    -0.01  -0.00  -0.00     0.02  -0.11  -0.11
    11   6    -0.01   0.01   0.08     0.02   0.03  -0.02    -0.02   0.01   0.14
    12   1     0.03   0.12  -0.33     0.03   0.09  -0.25    -0.01  -0.04   0.11
    13   1     0.17  -0.05   0.19     0.14  -0.03   0.22    -0.06   0.03  -0.05
    14   1     0.07   0.06  -0.25     0.12   0.08  -0.38    -0.05  -0.03   0.14
    15   1    -0.09   0.11   0.19    -0.12   0.15   0.21     0.07  -0.05  -0.05
    16   1     0.05  -0.05  -0.18    -0.11   0.08   0.37    -0.07   0.04   0.21
    17   1    -0.09  -0.09   0.18     0.13   0.14  -0.22     0.09   0.08  -0.09
    18   1     0.02  -0.12  -0.34    -0.03   0.09   0.26    -0.01   0.06   0.16
    19   1     0.16   0.04   0.17    -0.14  -0.02  -0.23    -0.09  -0.03  -0.09
    20   1     0.04  -0.01   0.02    -0.03   0.08  -0.09    -0.00   0.03   0.02
    21   1     0.07  -0.03   0.06     0.01   0.07  -0.05    -0.06   0.09  -0.07
    22   1     0.04  -0.05   0.06     0.01   0.07  -0.07    -0.00   0.01   0.03
    23   1     0.08  -0.04   0.06    -0.01   0.04  -0.05    -0.03   0.11  -0.07
    24   1     0.04   0.06   0.06    -0.01   0.07   0.06    -0.00  -0.00   0.04
    25   1     0.06   0.05   0.06     0.01   0.06   0.06    -0.03  -0.09  -0.06
    26   1     0.04   0.03   0.03     0.03   0.08   0.08     0.00  -0.01   0.03
    27   1     0.06   0.06   0.07     0.00   0.08   0.06    -0.07  -0.07  -0.06
    28   6    -0.02   0.01   0.08    -0.01   0.03  -0.01    -0.02  -0.01   0.14
    29   7     0.04   0.07  -0.05    -0.00  -0.03   0.03     0.03   0.11  -0.11
    30   1     0.03   0.03  -0.14    -0.00  -0.04   0.02     0.04  -0.02  -0.10
    31   1    -0.02   0.00  -0.02     0.01  -0.03  -0.02     0.04   0.00  -0.11
    32   1     0.11   0.13  -0.06    -0.02  -0.06   0.03     0.24   0.19  -0.15
    33   1    -0.22  -0.04  -0.01     0.13   0.03  -0.00    -0.41  -0.03   0.01
    34   1    -0.24   0.05  -0.01    -0.03   0.02   0.00    -0.42   0.05   0.01
    35   1     0.10  -0.13  -0.07    -0.03  -0.01   0.01     0.23  -0.21  -0.16
    36   1     0.03  -0.05  -0.13    -0.01  -0.04   0.01     0.04   0.01  -0.10
    37   1    -0.02  -0.01  -0.01    -0.02  -0.03   0.04     0.04  -0.01  -0.11
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.7040               983.0581               983.4969
 Red. masses --      2.1966                 2.2119                 2.2060
 Frc consts  --      1.2473                 1.2594                 1.2572
 IR Inten    --      6.4901                 1.4707                 1.9450
 RamAct Fr= 1--      1.2877                 2.3075                 3.9754
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7417
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8517
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0006
 Beta2  Fr= 1--      0.1840                 0.3296                 0.5643
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0029
 Gamma2 Fr= 1--     -0.1536                 0.2047                 2.0734
 Delta2 Fr= 1--     -0.5644                 0.1175                 0.9955
 Raman1 Fr= 1--       5.151                  9.230                 15.902
 ROA1   Fr= 1--     -32.810                 23.409                230.903
 CID1   Fr= 1--      -6.370                  2.536                 14.521
 Raman2 Fr= 1--       2.207                  3.956                  6.772
 ROA2   Fr= 1--       0.829                  3.973                 41.797
 CID2   Fr= 1--       0.375                  1.004                  6.172
 Raman3 Fr= 1--       4.415                  7.911                 13.544
 ROA3   Fr= 1--     -32.810                 23.409                230.903
 CID3   Fr= 1--      -7.432                  2.959                 17.049
 RC180  Fr= 1--       0.714                  0.714                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.11  -0.07  -0.00     0.12   0.08   0.01
     2   6     0.06   0.03   0.00     0.12   0.06  -0.00    -0.13  -0.07  -0.01
     3   7    -0.03  -0.01  -0.00    -0.06  -0.02  -0.00     0.07   0.02   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.01  -0.00    -0.06   0.02  -0.00    -0.07   0.02  -0.01
     6   6     0.06  -0.03   0.00     0.11  -0.06  -0.00     0.13  -0.08   0.01
     7   6    -0.06   0.04  -0.00    -0.11   0.07   0.00    -0.12   0.08  -0.01
     8   7     0.02  -0.02   0.00     0.04  -0.04  -0.00     0.05  -0.05  -0.00
     9   7     0.02   0.02   0.00     0.04   0.04  -0.00    -0.05  -0.05   0.00
    10   7    -0.00  -0.08  -0.02     0.00   0.04   0.01    -0.00  -0.00   0.00
    11   6     0.01   0.18   0.00    -0.00  -0.10  -0.00    -0.01   0.01  -0.01
    12   1    -0.04   0.14  -0.05    -0.09   0.27  -0.09    -0.10   0.28  -0.09
    13   1     0.06   0.02   0.08     0.12   0.04   0.17     0.10   0.07   0.18
    14   1     0.14   0.02  -0.04     0.26   0.03  -0.08     0.33   0.05  -0.10
    15   1    -0.00   0.06   0.08     0.00   0.12   0.16    -0.02   0.15   0.19
    16   1     0.15  -0.03  -0.04     0.27  -0.05  -0.09    -0.32   0.06   0.10
    17   1    -0.01  -0.06   0.08    -0.01  -0.12   0.16     0.03   0.14  -0.19
    18   1    -0.05  -0.14  -0.05    -0.10  -0.27  -0.09     0.11   0.27   0.08
    19   1     0.06  -0.02   0.08     0.11  -0.05   0.17    -0.09   0.07  -0.17
    20   1     0.06   0.05   0.01     0.11   0.08   0.03    -0.09  -0.07  -0.04
    21   1     0.07   0.06   0.01     0.14   0.11   0.01    -0.16  -0.15  -0.01
    22   1    -0.07  -0.02   0.00    -0.11  -0.04   0.03     0.16   0.06  -0.04
    23   1    -0.09  -0.04   0.01    -0.17  -0.05   0.01     0.16   0.04  -0.00
    24   1    -0.06   0.02   0.00    -0.10   0.04   0.02    -0.16   0.07   0.04
    25   1    -0.08   0.04   0.01    -0.17   0.06   0.01    -0.17   0.05   0.00
    26   1     0.05  -0.05   0.01     0.10  -0.09   0.02     0.09  -0.08   0.04
    27   1     0.06  -0.06   0.01     0.13  -0.11   0.01     0.15  -0.16   0.01
    28   6    -0.00  -0.18   0.00    -0.00   0.09  -0.00     0.01   0.00   0.01
    29   7    -0.00   0.08  -0.02     0.00  -0.04   0.01     0.00  -0.00  -0.00
    30   1    -0.04  -0.26  -0.05     0.02   0.13   0.01     0.01   0.04   0.01
    31   1    -0.05  -0.15  -0.01     0.02   0.10   0.01    -0.00  -0.06  -0.00
    32   1    -0.18  -0.09   0.22     0.09   0.05  -0.11    -0.02  -0.06   0.00
    33   1     0.21   0.29   0.19    -0.10  -0.16  -0.11     0.04   0.02   0.02
    34   1     0.19  -0.30   0.19    -0.09   0.16  -0.11    -0.04   0.02  -0.02
    35   1    -0.18   0.09   0.22     0.08  -0.04  -0.11     0.02  -0.06  -0.00
    36   1    -0.03   0.26  -0.05     0.01  -0.14   0.01    -0.01   0.04  -0.01
    37   1    -0.04   0.15  -0.01     0.02  -0.09   0.01    -0.00  -0.06   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    998.5077              1000.8016              1008.6616
 Red. masses --      1.2447                 1.2587                 1.2682
 Frc consts  --      0.7312                 0.7428                 0.7602
 IR Inten    --     11.0218                 1.4117                 9.7873
 RamAct Fr= 1--      0.2954                 0.7149                 0.3413
  Dep-P Fr= 1--      0.7441                 0.0179                 0.3782
  Dep-U Fr= 1--      0.8532                 0.0351                 0.5489
 Alpha2 Fr= 1--      0.0000                 0.0152                 0.0027
 Beta2  Fr= 1--      0.0420                 0.0042                 0.0312
 AlphaG Fr= 1--     -0.0000                 0.0013                -0.0981
 Gamma2 Fr= 1--      2.4361                 0.6383                -1.6174
 Delta2 Fr= 1--      0.2593                -0.0307                 0.2270
 Raman1 Fr= 1--       1.181                  2.859                  1.365
 ROA1   Fr= 1--     242.162                 60.300               -148.008
 CID1   Fr= 1--     204.976                 21.088               -108.409
 Raman2 Fr= 1--       0.504                  0.050                  0.375
 ROA2   Fr= 1--      56.392                 15.566                -40.633
 CID2   Fr= 1--     111.884                309.909               -108.446
 Raman3 Fr= 1--       1.008                  0.100                  0.749
 ROA3   Fr= 1--     242.162                 60.300               -148.008
 CID3   Fr= 1--     240.231                600.289               -197.508
 RC180  Fr= 1--       0.706                 -0.930                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.03     0.04  -0.02  -0.01    -0.04   0.04   0.03
     2   6     0.01  -0.06  -0.03    -0.02   0.02   0.02     0.01  -0.05  -0.03
     3   7    -0.01   0.01  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.01  -0.00    -0.00  -0.01   0.01     0.01   0.01  -0.00
     6   6     0.01   0.06  -0.03     0.02   0.02  -0.02    -0.02  -0.05   0.03
     7   6    -0.05  -0.05   0.03    -0.04  -0.01   0.01     0.04   0.04  -0.03
     8   7     0.01   0.02  -0.00     0.01   0.00   0.01    -0.01  -0.02   0.00
     9   7     0.01  -0.01  -0.00    -0.01   0.00  -0.01     0.00  -0.02  -0.00
    10   7    -0.00   0.00   0.00    -0.01   0.00  -0.02    -0.01  -0.00  -0.01
    11   6     0.00   0.00  -0.00     0.07  -0.02   0.05     0.03  -0.01   0.04
    12   1     0.00   0.16  -0.13    -0.01   0.11  -0.09     0.00  -0.15   0.10
    13   1     0.21  -0.15   0.10     0.11  -0.07   0.06    -0.17   0.13  -0.09
    14   1    -0.17  -0.08   0.13    -0.04  -0.03   0.04     0.14   0.06  -0.10
    15   1     0.24  -0.13  -0.09     0.10  -0.04  -0.02    -0.19   0.10   0.08
    16   1    -0.16   0.08   0.12     0.04  -0.03  -0.05    -0.13   0.07   0.10
    17   1     0.23   0.11  -0.08    -0.12  -0.04   0.03     0.20   0.09  -0.08
    18   1    -0.00  -0.16  -0.12     0.01   0.12   0.10    -0.01  -0.16  -0.11
    19   1     0.20   0.13   0.10    -0.13  -0.07  -0.07     0.18   0.12   0.09
    20   1     0.23   0.14   0.03    -0.13  -0.08  -0.01     0.22   0.13   0.04
    21   1    -0.14  -0.12  -0.03     0.07   0.08   0.01    -0.12  -0.11  -0.02
    22   1     0.26   0.13  -0.02    -0.12  -0.06   0.01     0.21   0.11  -0.03
    23   1    -0.20  -0.03   0.01     0.13   0.05  -0.02    -0.17  -0.06   0.02
    24   1     0.26  -0.14  -0.02     0.10  -0.06  -0.01    -0.21   0.12   0.03
    25   1    -0.20   0.05   0.02    -0.11   0.05   0.02     0.16  -0.07  -0.02
    26   1     0.24  -0.16   0.03     0.11  -0.08   0.01    -0.21   0.14  -0.04
    27   1    -0.14   0.14  -0.03    -0.05   0.07  -0.01     0.12  -0.11   0.02
    28   6    -0.00  -0.00  -0.00    -0.07  -0.02  -0.05    -0.03  -0.01  -0.04
    29   7    -0.00  -0.00   0.00     0.01   0.00   0.02     0.01  -0.00   0.01
    30   1    -0.00  -0.01  -0.00    -0.05  -0.24  -0.04    -0.03  -0.13  -0.01
    31   1    -0.01   0.01   0.01     0.04   0.35   0.00     0.04   0.20  -0.01
    32   1    -0.00   0.00   0.00     0.12   0.30  -0.02     0.07   0.19  -0.00
    33   1    -0.00  -0.00  -0.01    -0.20  -0.11  -0.11    -0.14  -0.06  -0.06
    34   1     0.01  -0.01   0.00     0.20  -0.12   0.12     0.13  -0.07   0.06
    35   1    -0.01   0.02   0.01    -0.11   0.30   0.03    -0.06   0.20   0.00
    36   1    -0.00  -0.01   0.00     0.04  -0.24   0.04     0.02  -0.14   0.01
    37   1    -0.01   0.01   0.01    -0.02   0.35  -0.00    -0.03   0.20   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.2131              1048.8355              1050.3416
 Red. masses --      3.1942                 3.1878                 3.1363
 Frc consts  --      2.0678                 2.0661                 2.0386
 IR Inten    --     67.9328                59.4079                 9.0356
 RamAct Fr= 1--      0.2549                 1.2960                 1.7535
  Dep-P Fr= 1--      0.7410                 0.6550                 0.3190
  Dep-U Fr= 1--      0.8513                 0.7915                 0.4837
 Alpha2 Fr= 1--      0.0000                 0.0022                 0.0170
 Beta2  Fr= 1--      0.0362                 0.1710                 0.1414
 AlphaG Fr= 1--     -0.0002                 0.0272                -0.0121
 Gamma2 Fr= 1--      1.0154                -0.1381                -0.7554
 Delta2 Fr= 1--      0.6220                -0.9279                 0.9235
 Raman1 Fr= 1--       1.020                  5.184                  7.014
 ROA1   Fr= 1--     117.378                -42.947                -42.970
 CID1   Fr= 1--     115.120                 -8.285                 -6.127
 Raman2 Fr= 1--       0.434                  2.052                  1.696
 ROA2   Fr= 1--      19.393                  4.110                -25.518
 CID2   Fr= 1--      44.687                  2.003                -15.042
 Raman3 Fr= 1--       0.868                  4.103                  3.393
 ROA3   Fr= 1--     117.378                -42.947                -42.970
 CID3   Fr= 1--     135.236                -10.466                -12.665
 RC180  Fr= 1--       0.703                  0.583                 -0.033
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.14    -0.01  -0.03   0.05     0.03   0.11  -0.15
     2   6     0.09  -0.03   0.15    -0.02   0.01  -0.05     0.10  -0.04   0.16
     3   7    -0.10  -0.01  -0.01     0.03   0.00   0.01    -0.11  -0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.12   0.01  -0.01    -0.02   0.00  -0.01     0.10  -0.01   0.01
     6   6     0.11   0.03   0.17     0.02   0.00   0.04    -0.09  -0.03  -0.14
     7   6     0.03  -0.11  -0.16     0.01  -0.02  -0.04    -0.02   0.10   0.14
     8   7    -0.06   0.10   0.01    -0.01   0.02   0.00     0.05  -0.08  -0.01
     9   7    -0.06  -0.08   0.01     0.02   0.03  -0.00    -0.06  -0.09   0.01
    10   7    -0.00   0.00   0.00     0.01   0.13   0.07     0.00   0.03   0.02
    11   6     0.00  -0.00  -0.00     0.16  -0.10  -0.17     0.04  -0.03  -0.05
    12   1     0.08  -0.11  -0.32     0.02  -0.05  -0.06    -0.07   0.11   0.29
    13   1     0.09  -0.17  -0.20    -0.00  -0.02  -0.05    -0.07   0.14   0.16
    14   1     0.14  -0.01   0.33     0.03   0.00   0.05    -0.11   0.01  -0.29
    15   1     0.17   0.00   0.20     0.03   0.01   0.05    -0.16   0.00  -0.17
    16   1     0.12   0.01   0.29    -0.04   0.00  -0.08     0.12   0.01   0.33
    17   1     0.15  -0.01   0.17    -0.04   0.01  -0.07     0.18  -0.00   0.20
    18   1     0.07   0.09  -0.28    -0.03  -0.05   0.08     0.09   0.12  -0.33
    19   1     0.08   0.14  -0.18    -0.00  -0.03   0.06     0.09   0.15  -0.18
    20   1    -0.01  -0.05   0.04     0.03   0.03  -0.01    -0.01  -0.07   0.03
    21   1     0.12   0.03   0.04    -0.06  -0.02  -0.02     0.11   0.03   0.04
    22   1    -0.06   0.02  -0.04     0.03   0.00   0.00    -0.04   0.03  -0.04
    23   1     0.11   0.09  -0.04    -0.03  -0.04   0.02     0.08   0.08  -0.04
    24   1    -0.07  -0.02  -0.04    -0.02   0.01  -0.00     0.03   0.03   0.03
    25   1     0.12  -0.11  -0.05     0.02  -0.03  -0.01    -0.06   0.07   0.03
    26   1    -0.00   0.06   0.04    -0.03   0.03   0.01     0.01  -0.06  -0.03
    27   1     0.14  -0.04   0.05     0.05  -0.02   0.01    -0.10   0.03  -0.04
    28   6    -0.00  -0.00   0.00    -0.16  -0.10   0.17    -0.04  -0.03   0.05
    29   7    -0.00   0.00  -0.00    -0.01   0.13  -0.07     0.00   0.03  -0.02
    30   1    -0.00  -0.01   0.00    -0.04  -0.18   0.06    -0.01  -0.03   0.02
    31   1     0.00   0.00  -0.00    -0.02   0.05   0.08    -0.00   0.02   0.02
    32   1     0.01  -0.01  -0.01     0.19  -0.20  -0.20     0.05  -0.06  -0.06
    33   1     0.01  -0.01  -0.01     0.37  -0.17  -0.21     0.11  -0.05  -0.06
    34   1    -0.01  -0.00   0.00    -0.38  -0.15   0.21    -0.11  -0.04   0.06
    35   1    -0.00  -0.00   0.00    -0.20  -0.20   0.20    -0.06  -0.06   0.06
    36   1    -0.00  -0.00  -0.00     0.03  -0.18  -0.06     0.01  -0.03  -0.02
    37   1     0.00  -0.00  -0.01     0.02   0.05  -0.08     0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1111.6532              1118.8637              1119.3578
 Red. masses --      1.0209                 1.0281                 1.0262
 Frc consts  --      0.7433                 0.7583                 0.7576
 IR Inten    --      0.4538                 0.5040                 0.1639
 RamAct Fr= 1--      0.4397                 0.6116                 0.8569
  Dep-P Fr= 1--      0.7483                 0.7209                 0.6756
  Dep-U Fr= 1--      0.8560                 0.8378                 0.8064
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0011
 Beta2  Fr= 1--      0.0627                 0.0854                 0.1152
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0006
 Gamma2 Fr= 1--     -0.2757                 0.3351                -1.2910
 Delta2 Fr= 1--     -0.1003                -0.0221                -0.4445
 Raman1 Fr= 1--       1.759                  2.446                  3.428
 ROA1   Fr= 1--     -29.681                 31.459               -138.157
 CID1   Fr= 1--     -16.877                 12.860                -40.306
 Raman2 Fr= 1--       0.753                  1.025                  1.382
 ROA2   Fr= 1--      -5.815                  8.218                -27.427
 CID2   Fr= 1--      -7.725                  8.019                -19.847
 Raman3 Fr= 1--       1.506                  2.050                  2.764
 ROA3   Fr= 1--     -29.681                 31.459               -138.157
 CID3   Fr= 1--     -19.715                 15.349                -49.985
 RC180  Fr= 1--       0.712                  0.676                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     3   7    -0.01  -0.00  -0.01     0.00   0.01  -0.01    -0.01  -0.00  -0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.01     0.01  -0.00   0.00     0.01   0.00   0.01
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     8   7     0.00  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.01   0.01
     9   7     0.00   0.01  -0.01    -0.01  -0.00  -0.01     0.01   0.01  -0.01
    10   7     0.00  -0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    12   1     0.04  -0.10  -0.07    -0.04   0.11   0.10    -0.03   0.07   0.05
    13   1    -0.08   0.15   0.17     0.08  -0.16  -0.18     0.08  -0.13  -0.14
    14   1    -0.10  -0.01  -0.09     0.10   0.01   0.10     0.09   0.01   0.06
    15   1     0.17  -0.00   0.18    -0.17  -0.00  -0.18    -0.15   0.01  -0.14
    16   1    -0.10   0.02  -0.08     0.01  -0.00   0.02    -0.14   0.02  -0.12
    17   1     0.16  -0.00   0.17    -0.02   0.01  -0.03     0.22  -0.00   0.24
    18   1     0.04   0.10  -0.07    -0.01  -0.03   0.04     0.05   0.13  -0.11
    19   1    -0.09  -0.14   0.16     0.01   0.03  -0.03    -0.13  -0.20   0.23
    20   1    -0.22  -0.16  -0.00     0.05   0.03   0.02    -0.31  -0.21  -0.01
    21   1     0.09   0.14   0.01     0.02   0.01  -0.00     0.11   0.17   0.00
    22   1     0.25   0.10   0.01    -0.05  -0.02   0.01     0.35   0.15   0.00
    23   1    -0.15   0.01  -0.01    -0.01  -0.02   0.00    -0.21  -0.02   0.00
    24   1     0.25  -0.12   0.01    -0.26   0.13   0.01    -0.21   0.10  -0.01
    25   1    -0.16  -0.00  -0.00     0.14  -0.01  -0.00     0.16  -0.04  -0.00
    26   1    -0.23   0.17  -0.00     0.24  -0.18   0.02     0.18  -0.14  -0.01
    27   1     0.09  -0.14   0.00    -0.05   0.11  -0.00    -0.09   0.13  -0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    29   7     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    30   1    -0.03  -0.12  -0.05    -0.03  -0.16  -0.09     0.02   0.09   0.04
    31   1     0.02   0.26   0.02     0.01   0.36   0.04    -0.00  -0.13  -0.01
    32   1    -0.12   0.14   0.12    -0.17   0.19   0.18     0.07  -0.08  -0.07
    33   1     0.06  -0.08  -0.08     0.06  -0.12  -0.13    -0.02   0.03   0.03
    34   1     0.06   0.07  -0.08     0.06   0.11  -0.12    -0.03  -0.05   0.06
    35   1    -0.12  -0.13   0.12    -0.18  -0.19   0.18     0.06   0.07  -0.07
    36   1    -0.02   0.12  -0.05    -0.03   0.18  -0.09     0.01  -0.05   0.03
    37   1     0.01  -0.26   0.02    -0.00  -0.35   0.03     0.00   0.15  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1170.6366              1172.2226              1189.7807
 Red. masses --      1.0742                 1.0712                 1.0612
 Frc consts  --      0.8674                 0.8672                 0.8851
 IR Inten    --     73.7737                68.4862                 0.8745
 RamAct Fr= 1--     10.4446                10.5928                10.3943
  Dep-P Fr= 1--      0.7423                 0.7500                 0.2370
  Dep-U Fr= 1--      0.8521                 0.8571                 0.3832
 Alpha2 Fr= 1--      0.0014                 0.0000                 0.1277
 Beta2  Fr= 1--      1.4833                 1.5132                 0.6639
 AlphaG Fr= 1--      0.0243                -0.0000                 0.0483
 Gamma2 Fr= 1--     -4.5362                 1.0266                 1.4409
 Delta2 Fr= 1--      3.3427                 6.4599                -5.6712
 Raman1 Fr= 1--      41.779                 42.371                 41.577
 ROA1   Fr= 1--    -328.506                305.273                -43.149
 CID1   Fr= 1--      -7.863                  7.205                 -1.038
 Raman2 Fr= 1--      17.800                 18.159                  7.967
 ROA2   Fr= 1--    -135.610                -27.041                 79.951
 CID2   Fr= 1--      -7.619                 -1.489                 10.036
 Raman3 Fr= 1--      35.600                 36.318                 15.933
 ROA3   Fr= 1--    -328.506                305.273                -43.149
 CID3   Fr= 1--      -9.228                  8.406                 -2.708
 RC180  Fr= 1--       0.704                  0.714                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   7    -0.01  -0.00   0.01    -0.03  -0.01   0.02    -0.03  -0.00   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.01  -0.01  -0.01    -0.03   0.01   0.01     0.03  -0.01  -0.01
     6   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.01
     8   7     0.01  -0.01   0.01    -0.02   0.02  -0.02     0.02  -0.02   0.01
     9   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.02    -0.02  -0.02  -0.01
    10   7    -0.02  -0.04   0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
    12   1     0.04  -0.10  -0.12    -0.08   0.18   0.21     0.07  -0.18  -0.18
    13   1    -0.01   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1     0.09   0.00   0.10    -0.20  -0.02  -0.21     0.19   0.02   0.19
    15   1    -0.01   0.01   0.00     0.02  -0.00   0.01    -0.02   0.00  -0.02
    16   1    -0.08   0.00  -0.09    -0.20   0.02  -0.22    -0.19   0.03  -0.19
    17   1     0.01   0.01  -0.01     0.01   0.00   0.01     0.02   0.00   0.02
    18   1    -0.04  -0.09   0.11    -0.09  -0.18   0.22    -0.08  -0.17   0.18
    19   1     0.01   0.02  -0.02     0.02   0.02  -0.02     0.01   0.01  -0.01
    20   1     0.10   0.06   0.05     0.17   0.09   0.10     0.14   0.07   0.07
    21   1     0.16   0.09   0.02     0.28   0.17   0.04     0.25   0.16   0.04
    22   1     0.05   0.03  -0.04     0.17   0.09  -0.09     0.15   0.08  -0.07
    23   1     0.12   0.05  -0.01     0.31   0.17  -0.04     0.26   0.13  -0.03
    24   1    -0.06   0.04   0.04     0.17  -0.10  -0.09    -0.15   0.09   0.07
    25   1    -0.13   0.07   0.01     0.30  -0.18  -0.04    -0.26   0.14   0.03
    26   1    -0.10   0.06  -0.05     0.15  -0.09   0.10    -0.13   0.08  -0.07
    27   1    -0.17   0.11  -0.02     0.27  -0.18   0.04    -0.24   0.17  -0.04
    28   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    29   7     0.02  -0.04  -0.00    -0.00   0.00   0.00    -0.01   0.02  -0.01
    30   1     0.05   0.43  -0.01     0.00   0.03  -0.01    -0.03  -0.23  -0.01
    31   1     0.11   0.23  -0.04     0.00  -0.00   0.00    -0.05  -0.10   0.03
    32   1    -0.01   0.02   0.01     0.01  -0.02  -0.01    -0.01  -0.03  -0.01
    33   1     0.19  -0.20  -0.22    -0.00   0.00  -0.00    -0.09   0.13   0.14
    34   1    -0.20  -0.20   0.22    -0.01  -0.01   0.01     0.10   0.13  -0.14
    35   1     0.01   0.02  -0.01     0.01   0.02  -0.01     0.00  -0.03   0.01
    36   1    -0.03   0.43   0.01    -0.00  -0.01  -0.01     0.02  -0.24   0.01
    37   1    -0.10   0.23   0.04    -0.00   0.01   0.00     0.05  -0.10  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1223.4618              1226.3144              1244.7594
 Red. masses --      1.2544                 1.2485                 1.2398
 Frc consts  --      1.1063                 1.1062                 1.1318
 IR Inten    --      6.1565                 0.1951                32.6750
 RamAct Fr= 1--      7.3717                 8.6514                 1.0213
  Dep-P Fr= 1--      0.7496                 0.7492                 0.7500
  Dep-U Fr= 1--      0.8569                 0.8566                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0000
 Beta2  Fr= 1--      1.0528                 1.2351                 0.1459
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0000
 Gamma2 Fr= 1--      1.4892                -3.7484                -0.2515
 Delta2 Fr= 1--      0.4341                -0.7561                -0.0898
 Raman1 Fr= 1--      29.487                 34.606                  4.085
 ROA1   Fr= 1--     156.858               -384.039                -27.022
 CID1   Fr= 1--       5.320                -11.098                 -6.614
 Raman2 Fr= 1--      12.633                 14.822                  1.751
 ROA2   Fr= 1--      32.269                -83.912                 -5.318
 CID2   Fr= 1--       2.554                 -5.661                 -3.038
 Raman3 Fr= 1--      25.267                 29.644                  3.502
 ROA3   Fr= 1--     156.858               -384.039                -27.022
 CID3   Fr= 1--       6.208                -12.955                 -7.717
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.01    -0.03  -0.02  -0.02    -0.03  -0.01  -0.01
     2   6     0.01   0.01  -0.01     0.03   0.02  -0.02     0.03   0.02  -0.01
     3   7    -0.02  -0.01   0.02    -0.04  -0.02   0.03    -0.04  -0.02   0.02
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.02   0.01   0.02     0.04  -0.02  -0.03    -0.03   0.02   0.02
     6   6     0.01  -0.01  -0.01    -0.03   0.02   0.02     0.03  -0.02  -0.01
     7   6    -0.02   0.01  -0.01     0.03  -0.02   0.02    -0.03   0.01  -0.01
     8   7     0.02  -0.01   0.02    -0.04   0.03  -0.03     0.04  -0.02   0.02
     9   7     0.02   0.01   0.01     0.04   0.02   0.03     0.04   0.02   0.02
    10   7     0.04   0.06  -0.01    -0.00   0.00  -0.01    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01     0.00  -0.00   0.01     0.01   0.02   0.00
    12   1     0.00  -0.02  -0.07    -0.01   0.02   0.13     0.01  -0.03  -0.11
    13   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.00     0.02  -0.01  -0.01
    14   1    -0.00   0.00  -0.08     0.05   0.01   0.15    -0.01  -0.01  -0.08
    15   1     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.03   0.02  -0.03
    16   1    -0.00  -0.00  -0.07    -0.05   0.01  -0.15    -0.01   0.01  -0.08
    17   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.01  -0.02
    18   1     0.00   0.02  -0.06     0.01   0.02  -0.13     0.01   0.03  -0.11
    19   1     0.01   0.01  -0.02     0.01  -0.01   0.00     0.02   0.01  -0.01
    20   1    -0.06  -0.03  -0.05    -0.16  -0.08  -0.14    -0.11  -0.06  -0.09
    21   1    -0.16  -0.12  -0.02    -0.33  -0.22  -0.03    -0.33  -0.20  -0.04
    22   1     0.08   0.05  -0.08     0.16   0.09  -0.13     0.12   0.06  -0.08
    23   1     0.18   0.09  -0.01     0.40   0.17  -0.03     0.33   0.17  -0.03
    24   1     0.09  -0.06  -0.08    -0.15   0.10   0.13     0.11  -0.07  -0.08
    25   1     0.20  -0.11  -0.01    -0.38   0.18   0.03     0.32  -0.18  -0.03
    26   1    -0.07   0.04  -0.06     0.15  -0.08   0.14    -0.11   0.06  -0.09
    27   1    -0.17   0.14  -0.02     0.32  -0.23   0.03    -0.32   0.21  -0.04
    28   6    -0.02   0.05   0.01    -0.01   0.00  -0.01     0.01  -0.03   0.00
    29   7     0.03  -0.06  -0.01     0.01  -0.00   0.01    -0.02   0.03  -0.00
    30   1    -0.06  -0.53  -0.01     0.01   0.03   0.02     0.03   0.28   0.02
    31   1    -0.13  -0.18   0.06    -0.00  -0.01  -0.01     0.09   0.13  -0.05
    32   1    -0.02   0.04   0.01     0.02   0.02  -0.00    -0.02   0.05   0.05
    33   1    -0.13   0.01   0.07     0.00  -0.04  -0.04     0.10  -0.05  -0.08
    34   1    -0.13  -0.01   0.07    -0.01  -0.04   0.04     0.11   0.04  -0.08
    35   1    -0.02  -0.04   0.01    -0.02   0.01   0.00    -0.03  -0.05   0.05
    36   1    -0.04   0.53  -0.01    -0.01   0.05  -0.03     0.02  -0.28   0.02
    37   1    -0.12   0.19   0.06    -0.01  -0.00   0.01     0.08  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2906              1292.6053              1297.3038
 Red. masses --      1.4046                 1.3948                 1.3712
 Frc consts  --      1.3820                 1.3731                 1.3596
 IR Inten    --      0.4428                 0.0353                 1.3624
 RamAct Fr= 1--      2.2110                 4.9969                 1.8814
  Dep-P Fr= 1--      0.5806                 0.0499                 0.6308
  Dep-U Fr= 1--      0.7347                 0.0951                 0.7736
 Alpha2 Fr= 1--      0.0070                 0.0987                 0.0041
 Beta2  Fr= 1--      0.2707                 0.0792                 0.2426
 AlphaG Fr= 1--      0.0008                -0.0035                 0.0219
 Gamma2 Fr= 1--      1.6168                -0.6907                 0.4447
 Delta2 Fr= 1--      0.2314                -1.1322                 1.1451
 Raman1 Fr= 1--       8.844                 19.988                  7.526
 ROA1   Fr= 1--     162.619               -102.541                 79.334
 CID1   Fr= 1--      18.387                 -5.130                 10.542
 Raman2 Fr= 1--       3.249                  0.951                  2.911
 ROA2   Fr= 1--      36.953                 -7.521                  1.512
 CID2   Fr= 1--      11.374                 -7.910                  0.520
 Raman3 Fr= 1--       6.498                  1.902                  5.822
 ROA3   Fr= 1--     162.619               -102.541                 79.334
 CID3   Fr= 1--      25.028                -53.925                 13.627
 RC180  Fr= 1--       0.469                 -0.810                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.02    -0.04   0.06   0.03     0.03  -0.05  -0.02
     2   6    -0.03   0.06   0.02     0.03  -0.07  -0.04    -0.02   0.06   0.02
     3   7    -0.00  -0.03  -0.01    -0.00   0.02   0.02    -0.01  -0.02  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00   0.03  -0.02     0.00   0.01  -0.01     0.00  -0.02   0.01
     6   6    -0.05  -0.08   0.04    -0.02  -0.03   0.02     0.02   0.05  -0.02
     7   6     0.05   0.08  -0.04     0.02   0.03  -0.02    -0.03  -0.05   0.02
     8   7    -0.03  -0.01   0.02    -0.01  -0.00   0.01     0.02   0.01  -0.01
     9   7    -0.02   0.01   0.01     0.02  -0.01  -0.02    -0.02   0.01   0.01
    10   7     0.00  -0.01   0.00     0.03  -0.02   0.02     0.02  -0.01   0.01
    11   6    -0.01   0.00  -0.01    -0.06   0.01  -0.06    -0.06   0.00  -0.06
    12   1     0.02  -0.08   0.09    -0.01   0.02   0.06    -0.02   0.06  -0.01
    13   1    -0.05  -0.03  -0.32    -0.02  -0.03  -0.14     0.04  -0.00   0.17
    14   1     0.09   0.02  -0.08    -0.01   0.01  -0.06    -0.06  -0.01   0.03
    15   1    -0.02   0.07   0.31     0.02   0.02   0.13     0.01  -0.04  -0.17
    16   1     0.07  -0.01  -0.03    -0.04   0.01   0.09     0.07  -0.01  -0.03
    17   1    -0.03  -0.04   0.19    -0.00   0.05  -0.26    -0.02  -0.04   0.19
    18   1     0.02   0.07   0.05     0.00  -0.02  -0.10     0.03   0.07   0.02
    19   1    -0.03   0.02  -0.20     0.03  -0.04   0.27    -0.04   0.00  -0.19
    20   1     0.20   0.17  -0.02    -0.23  -0.19   0.02     0.18   0.16  -0.03
    21   1    -0.08  -0.14   0.01     0.08   0.16  -0.01    -0.11  -0.16   0.00
    22   1     0.25   0.08   0.03    -0.27  -0.08  -0.04     0.25   0.08   0.02
    23   1    -0.17   0.01  -0.01     0.21   0.01   0.01    -0.14   0.01  -0.01
    24   1     0.36  -0.13   0.05     0.11  -0.04   0.02    -0.23   0.09  -0.01
    25   1    -0.26   0.00  -0.02    -0.10   0.02  -0.00     0.13   0.00   0.01
    26   1     0.28  -0.26  -0.03     0.10  -0.08  -0.00    -0.16   0.15   0.02
    27   1    -0.11   0.22   0.01    -0.03   0.07   0.01     0.10  -0.16  -0.00
    28   6     0.01  -0.00   0.01     0.06   0.01   0.06     0.06   0.00   0.06
    29   7    -0.01  -0.00  -0.00    -0.03  -0.02  -0.02    -0.02  -0.01  -0.01
    30   1    -0.01  -0.02  -0.03    -0.03  -0.16  -0.11    -0.03  -0.17  -0.10
    31   1     0.00   0.08   0.02     0.00   0.33   0.07     0.00   0.30   0.06
    32   1    -0.06  -0.02   0.03    -0.23  -0.04   0.12    -0.25   0.00   0.15
    33   1     0.01   0.00  -0.01     0.08   0.04   0.01     0.09   0.02  -0.00
    34   1    -0.02   0.02  -0.01    -0.07   0.04  -0.00    -0.09   0.03   0.00
    35   1     0.05  -0.01  -0.02     0.23  -0.06  -0.13     0.25  -0.01  -0.15
    36   1     0.01  -0.05   0.02     0.02  -0.15   0.11     0.02  -0.18   0.10
    37   1     0.00   0.07  -0.02     0.01   0.33  -0.07     0.01   0.30  -0.06
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.4597              1333.7213              1340.3173
 Red. masses --      1.1857                 1.1927                 1.1701
 Frc consts  --      1.2385                 1.2500                 1.2384
 IR Inten    --     24.5007                27.3947                 0.0260
 RamAct Fr= 1--      3.7813                 3.6534                 3.8965
  Dep-P Fr= 1--      0.7499                 0.7497                 0.1932
  Dep-U Fr= 1--      0.8571                 0.8569                 0.3239
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0539
 Beta2  Fr= 1--      0.5401                 0.5218                 0.2103
 AlphaG Fr= 1--      0.0000                 0.0018                 0.0316
 Gamma2 Fr= 1--     -6.3022                 4.1913                -2.6790
 Delta2 Fr= 1--     -6.5629                 2.0881                -2.1968
 Raman1 Fr= 1--      15.125                 14.613                 15.586
 ROA1   Fr= 1--    -815.026                469.182               -327.481
 CID1   Fr= 1--     -53.886                 32.106                -21.011
 Raman2 Fr= 1--       6.482                  6.261                  2.524
 ROA2   Fr= 1--     -98.751                 83.886                -46.722
 CID2   Fr= 1--     -15.236                 13.397                -18.511
 Raman3 Fr= 1--      12.963                 12.523                  5.048
 ROA3   Fr= 1--    -815.026                469.182               -327.481
 CID3   Fr= 1--     -62.873                 37.466                -64.874
 RC180  Fr= 1--       0.714                  0.714                 -0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.04     0.01  -0.01   0.02    -0.01   0.01  -0.03
     2   6     0.00   0.01  -0.04    -0.00   0.01  -0.02    -0.01  -0.00   0.02
     3   7    -0.02  -0.04   0.01    -0.01  -0.03   0.01     0.02   0.02  -0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.02   0.04   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   6     0.00  -0.01  -0.04     0.00   0.01   0.02     0.01  -0.00  -0.02
     7   6     0.01   0.00   0.04    -0.01  -0.01  -0.02     0.01   0.01   0.03
     8   7    -0.04  -0.00  -0.02     0.02   0.00   0.00    -0.04  -0.00  -0.01
     9   7    -0.04   0.00  -0.02    -0.02   0.00  -0.01     0.04  -0.00   0.01
    10   7     0.00  -0.00   0.00    -0.01  -0.04   0.03     0.00  -0.03   0.02
    11   6    -0.00  -0.00  -0.00     0.04   0.01  -0.02     0.02   0.01  -0.02
    12   1     0.10  -0.25  -0.19    -0.06   0.14   0.12     0.10  -0.22  -0.19
    13   1    -0.07   0.15   0.22     0.05  -0.08  -0.09    -0.09   0.17   0.19
    14   1     0.28   0.02   0.23    -0.15  -0.01  -0.10     0.14   0.01   0.10
    15   1    -0.18  -0.01  -0.23     0.08   0.00   0.10    -0.10  -0.01  -0.16
    16   1     0.27  -0.03   0.22     0.18  -0.02   0.12    -0.16   0.02  -0.12
    17   1    -0.17   0.01  -0.22    -0.10   0.01  -0.12     0.12  -0.01   0.17
    18   1     0.10   0.23  -0.17     0.07   0.14  -0.12    -0.10  -0.20   0.17
    19   1    -0.07  -0.14   0.20    -0.05  -0.09   0.10     0.09   0.16  -0.19
    20   1     0.13   0.11   0.06     0.10   0.08   0.02    -0.16  -0.13  -0.05
    21   1     0.13   0.05   0.02     0.05   0.00   0.01    -0.13  -0.03  -0.02
    22   1     0.18   0.06  -0.05     0.14   0.05  -0.04    -0.13  -0.05   0.03
    23   1     0.08   0.09  -0.02     0.06   0.05  -0.01    -0.10  -0.06   0.01
    24   1     0.19  -0.07  -0.06    -0.12   0.05   0.03     0.11  -0.05  -0.03
    25   1     0.08  -0.10  -0.02    -0.05   0.05   0.01     0.11  -0.06  -0.01
    26   1     0.14  -0.12   0.07    -0.09   0.08  -0.02     0.17  -0.15   0.05
    27   1     0.14  -0.05   0.02    -0.04  -0.00  -0.01     0.13  -0.03   0.02
    28   6     0.00   0.00  -0.00    -0.04   0.01   0.02    -0.02   0.01   0.02
    29   7     0.00   0.00   0.00     0.01  -0.04  -0.03    -0.00  -0.03  -0.02
    30   1    -0.00  -0.01  -0.01     0.01   0.16  -0.04     0.00   0.09  -0.04
    31   1    -0.01   0.02   0.01     0.08   0.21   0.01     0.05   0.22   0.02
    32   1    -0.01  -0.02  -0.00     0.20  -0.16  -0.19     0.09  -0.13  -0.11
    33   1    -0.02   0.01   0.01    -0.15   0.26   0.26    -0.09   0.17   0.16
    34   1    -0.03  -0.02   0.02     0.16   0.25  -0.25     0.10   0.17  -0.16
    35   1     0.01   0.03  -0.01    -0.20  -0.15   0.19    -0.10  -0.13   0.11
    36   1    -0.00   0.00  -0.01    -0.00   0.16   0.04    -0.00   0.09   0.04
    37   1    -0.00  -0.03   0.01    -0.07   0.21  -0.01    -0.04   0.22  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.5049              1348.6581              1350.4537
 Red. masses --      1.1947                 1.1898                 1.1935
 Frc consts  --      1.2781                 1.2751                 1.2824
 IR Inten    --      8.2756                 1.8523                 9.5788
 RamAct Fr= 1--      3.7847                12.2162                10.1193
  Dep-P Fr= 1--      0.7494                 0.7481                 0.7500
  Dep-U Fr= 1--      0.8568                 0.8559                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.5404                 1.7427                 1.4456
 AlphaG Fr= 1--      0.0001                 0.0009                 0.0000
 Gamma2 Fr= 1--      3.7197                12.6413                -7.2587
 Delta2 Fr= 1--      0.7423                 3.2965                -0.6167
 Raman1 Fr= 1--      15.139                 48.865                 40.477
 ROA1   Fr= 1--     380.844               1319.053               -716.565
 CID1   Fr= 1--      25.157                 26.994                -17.703
 Raman2 Fr= 1--       6.485                 20.912                 17.347
 ROA2   Fr= 1--      83.335                277.019               -169.274
 CID2   Fr= 1--      12.850                 13.247                 -9.758
 Raman3 Fr= 1--      12.970                 41.824                 34.694
 ROA3   Fr= 1--     380.844               1319.053               -716.565
 CID3   Fr= 1--      29.363                 31.538                -20.654
 RC180  Fr= 1--       0.714                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.01    -0.00   0.05  -0.00     0.00   0.01  -0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.03  -0.01    -0.01   0.00  -0.00
     3   7    -0.00  -0.04  -0.00    -0.01  -0.05  -0.00     0.00  -0.01  -0.00
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.04  -0.00     0.01  -0.04   0.00     0.00   0.01  -0.00
     6   6    -0.04  -0.03  -0.01     0.03   0.03   0.01    -0.01  -0.00  -0.00
     7   6    -0.01  -0.05  -0.01     0.00   0.04   0.00     0.00  -0.01   0.00
     8   7     0.04   0.01  -0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     9   7     0.04  -0.02   0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.04
    11   6    -0.00  -0.01  -0.01    -0.00   0.00   0.00     0.01   0.03   0.06
    12   1    -0.11   0.23   0.26     0.09  -0.20  -0.20    -0.01   0.03   0.04
    13   1     0.11  -0.16  -0.06    -0.07   0.11   0.03     0.01  -0.01   0.01
    14   1     0.25   0.01   0.26    -0.27  -0.01  -0.27     0.05   0.00   0.06
    15   1    -0.18   0.02  -0.07     0.19  -0.02   0.10    -0.04   0.00  -0.03
    16   1     0.21  -0.01   0.23     0.28  -0.02   0.28     0.05  -0.00   0.06
    17   1    -0.15  -0.01  -0.05    -0.20  -0.01  -0.10    -0.04  -0.00  -0.02
    18   1    -0.13  -0.23   0.27    -0.11  -0.21   0.23    -0.02  -0.03   0.05
    19   1     0.12   0.15  -0.07     0.09   0.12  -0.04     0.01   0.01   0.01
    20   1    -0.21  -0.19  -0.02    -0.19  -0.17  -0.01    -0.01  -0.02   0.01
    21   1    -0.02   0.08  -0.01     0.00   0.09  -0.01     0.04   0.04   0.00
    22   1     0.21   0.06  -0.00     0.30   0.09  -0.01     0.05   0.01   0.00
    23   1    -0.08   0.04  -0.01    -0.05   0.05  -0.02    -0.03   0.00  -0.00
    24   1     0.25  -0.08  -0.01    -0.28   0.10   0.01     0.04  -0.01   0.00
    25   1    -0.08  -0.05  -0.02     0.04   0.05   0.02    -0.03  -0.00  -0.00
    26   1    -0.20   0.20  -0.02     0.16  -0.16   0.01    -0.01   0.01   0.01
    27   1    -0.01  -0.09  -0.01    -0.00   0.08   0.01     0.04  -0.04   0.01
    28   6    -0.00   0.01  -0.01     0.00   0.00  -0.01     0.00  -0.03   0.06
    29   7     0.00   0.01   0.01    -0.00   0.01   0.00    -0.02  -0.04  -0.04
    30   1    -0.00  -0.01  -0.02    -0.00  -0.02   0.01     0.02   0.03   0.11
    31   1     0.01   0.06   0.01    -0.01  -0.03   0.00    -0.05  -0.37  -0.07
    32   1     0.01  -0.03  -0.03    -0.02   0.00   0.02    -0.04   0.21   0.12
    33   1    -0.04   0.06   0.07     0.01  -0.03  -0.03     0.27  -0.30  -0.30
    34   1    -0.03  -0.05   0.06    -0.01  -0.04   0.04     0.28   0.29  -0.31
    35   1     0.01   0.02  -0.02     0.02   0.01  -0.02    -0.04  -0.21   0.12
    36   1    -0.00   0.02  -0.01    -0.00  -0.02  -0.01     0.02  -0.03   0.11
    37   1     0.01  -0.05   0.01     0.01  -0.04  -0.00    -0.04   0.38  -0.07
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.6482              1405.3722              1406.9164
 Red. masses --      1.2658                 1.2682                 1.2640
 Frc consts  --      1.4714                 1.4757                 1.4741
 IR Inten    --      0.5887                 1.1744                 1.3061
 RamAct Fr= 1--      0.9109                 2.8528                 2.0683
  Dep-P Fr= 1--      0.7497                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1301                 0.4074                 0.2955
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -0.7739                -3.1291                 2.0872
 Delta2 Fr= 1--     -0.2518                -1.3430                 1.0687
 Raman1 Fr= 1--       3.644                 11.411                  8.273
 ROA1   Fr= 1--     -82.356               -343.366                234.569
 CID1   Fr= 1--     -22.603                -30.090                 28.353
 Raman2 Fr= 1--       1.561                  4.889                  3.545
 ROA2   Fr= 1--     -16.559                -64.354                 41.544
 CID2   Fr= 1--     -10.607                -13.164                 11.717
 Raman3 Fr= 1--       3.122                  9.777                  7.091
 ROA3   Fr= 1--     -82.356               -343.366                234.569
 CID3   Fr= 1--     -26.376                -35.119                 33.080
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.05     0.04   0.02  -0.06    -0.01  -0.01   0.02
     2   6    -0.03  -0.01  -0.05    -0.04  -0.02  -0.07     0.01   0.00   0.02
     3   7    -0.01   0.01   0.01    -0.01   0.01   0.02     0.01  -0.00  -0.01
     4  45    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.01   0.02     0.01   0.01  -0.02     0.01   0.00  -0.01
     6   6    -0.04   0.02  -0.06     0.03  -0.02   0.05     0.01  -0.01   0.02
     7   6     0.04  -0.03  -0.06    -0.03   0.02   0.05    -0.01   0.01   0.02
     8   7    -0.00  -0.02   0.02     0.00   0.01  -0.01    -0.00   0.01  -0.01
     9   7    -0.00   0.01   0.02    -0.00   0.02   0.02    -0.00  -0.01  -0.01
    10   7    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.01  -0.01
    11   6     0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.07  -0.06  -0.03
    12   1    -0.07   0.16   0.23     0.06  -0.12  -0.20     0.02  -0.05  -0.06
    13   1    -0.14   0.27   0.24     0.09  -0.21  -0.20     0.04  -0.07  -0.06
    14   1     0.16   0.00   0.25    -0.13  -0.00  -0.21    -0.05  -0.00  -0.07
    15   1     0.29   0.01   0.26    -0.25  -0.01  -0.23    -0.09   0.00  -0.08
    16   1     0.12  -0.01   0.19     0.17  -0.01   0.26    -0.06   0.01  -0.07
    17   1     0.22  -0.02   0.20     0.31  -0.03   0.29    -0.10   0.00  -0.09
    18   1    -0.06  -0.12   0.17    -0.08  -0.15   0.25     0.02   0.05  -0.06
    19   1    -0.12  -0.21   0.19    -0.13  -0.26   0.25     0.04   0.08  -0.06
    20   1     0.08   0.08  -0.02     0.10   0.10  -0.02    -0.02  -0.03   0.01
    21   1    -0.06  -0.08   0.01    -0.08  -0.10   0.01     0.04   0.04   0.00
    22   1    -0.09  -0.02  -0.02    -0.15  -0.04  -0.03     0.04   0.01   0.01
    23   1     0.10   0.01   0.01     0.13   0.02   0.01    -0.06  -0.01  -0.00
    24   1    -0.13   0.04  -0.03     0.12  -0.03   0.03     0.03  -0.01   0.01
    25   1     0.13  -0.02   0.01    -0.10   0.03  -0.01    -0.06   0.01  -0.00
    26   1     0.10  -0.11  -0.02    -0.07   0.08   0.02    -0.02   0.02   0.01
    27   1    -0.07   0.11   0.01     0.06  -0.08  -0.00     0.04  -0.04   0.00
    28   6     0.03   0.02  -0.01     0.00   0.00   0.00     0.07   0.05  -0.03
    29   7    -0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.01  -0.01
    30   1     0.00   0.05   0.02     0.00   0.02   0.00     0.02   0.15   0.07
    31   1     0.00  -0.06  -0.02     0.00  -0.02  -0.01     0.01  -0.18  -0.06
    32   1    -0.08   0.09   0.11    -0.02   0.04   0.03    -0.23   0.32   0.30
    33   1    -0.09   0.05   0.05    -0.01   0.02   0.02    -0.24   0.17   0.20
    34   1    -0.09  -0.05   0.06    -0.02   0.00  -0.00    -0.25  -0.16   0.20
    35   1    -0.09  -0.10   0.11    -0.01   0.01   0.01    -0.24  -0.31   0.31
    36   1     0.00  -0.05   0.02     0.00  -0.00   0.00     0.01  -0.15   0.07
    37   1     0.01   0.06  -0.02    -0.00   0.00   0.00     0.01   0.18  -0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1507              1444.8377              1445.3761
 Red. masses --      1.4462                 1.4516                 1.4413
 Frc consts  --      1.7746                 1.7853                 1.7740
 IR Inten    --      3.8377                 0.8426                 2.5602
 RamAct Fr= 1--      0.7785                 0.3443                 0.8903
  Dep-P Fr= 1--      0.7496                 0.7478                 0.7496
  Dep-U Fr= 1--      0.8569                 0.8557                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1112                 0.0491                 0.1271
 AlphaG Fr= 1--      0.0001                 0.0004                -0.0021
 Gamma2 Fr= 1--      1.3205                -1.3343                 0.4298
 Delta2 Fr= 1--      0.8864                -0.9182                 0.5140
 Raman1 Fr= 1--       3.114                  1.377                  3.561
 ROA1   Fr= 1--     155.130               -157.473                 57.710
 CID1   Fr= 1--      49.818               -114.341                 16.206
 Raman2 Fr= 1--       1.334                  0.589                  1.526
 ROA2   Fr= 1--      24.600                -24.677                  6.203
 CID2   Fr= 1--      18.438                -41.879                  4.066
 Raman3 Fr= 1--       2.668                  1.178                  3.051
 ROA3   Fr= 1--     155.130               -157.473                 57.710
 CID3   Fr= 1--      58.138               -133.624                 18.912
 RC180  Fr= 1--       0.714                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.08     0.00   0.01  -0.03    -0.01  -0.03   0.09
     2   6    -0.03   0.01  -0.08     0.01  -0.00   0.04    -0.03   0.01  -0.09
     3   7    -0.01   0.01   0.02     0.00  -0.00  -0.01    -0.01   0.00   0.02
     4  45     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00   0.03    -0.00  -0.00   0.01     0.01   0.00  -0.02
     6   6    -0.03  -0.01  -0.10    -0.01  -0.00  -0.03     0.03   0.01   0.07
     7   6    -0.01   0.04   0.10     0.00   0.01   0.03     0.01  -0.03  -0.08
     8   7    -0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.01   0.02
     9   7    -0.00  -0.01  -0.02     0.00   0.00   0.01    -0.00  -0.01  -0.03
    10   7    -0.00  -0.00   0.00    -0.04  -0.01  -0.00    -0.01  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.10  -0.03  -0.07     0.04  -0.01  -0.02
    12   1     0.09  -0.09  -0.17     0.03  -0.04  -0.05    -0.07   0.10   0.14
    13   1     0.08  -0.28  -0.33     0.02  -0.07  -0.08    -0.08   0.24   0.26
    14   1     0.12  -0.04   0.18     0.02  -0.02   0.07    -0.10   0.02  -0.13
    15   1     0.27   0.06   0.34     0.07   0.04   0.12    -0.21  -0.04  -0.25
    16   1     0.10   0.03   0.15    -0.03  -0.03  -0.08     0.11   0.03   0.15
    17   1     0.23  -0.06   0.29    -0.08   0.04  -0.14     0.24  -0.06   0.29
    18   1     0.08   0.08  -0.15    -0.03  -0.04   0.06     0.09   0.11  -0.16
    19   1     0.08   0.24  -0.29    -0.03  -0.08   0.11     0.11   0.27  -0.31
    20   1    -0.05  -0.07   0.06    -0.00   0.01  -0.02    -0.06  -0.08   0.06
    21   1     0.11   0.08  -0.00    -0.04  -0.03   0.00     0.13   0.11  -0.00
    22   1    -0.08  -0.01  -0.05     0.03   0.00   0.02    -0.07  -0.01  -0.07
    23   1     0.12   0.04   0.01    -0.05  -0.02  -0.00     0.14   0.06   0.00
    24   1    -0.09   0.02  -0.06    -0.02   0.00  -0.02     0.06  -0.01   0.06
    25   1     0.14  -0.05   0.01     0.04  -0.02   0.00    -0.12   0.06  -0.00
    26   1    -0.06   0.08   0.07     0.01   0.00   0.02     0.05  -0.07  -0.05
    27   1     0.12  -0.10  -0.00     0.03  -0.03   0.00    -0.11   0.10   0.00
    28   6    -0.00   0.00   0.00    -0.10  -0.03   0.07    -0.04  -0.01   0.02
    29   7    -0.00   0.00  -0.00     0.03  -0.01   0.00     0.01  -0.00   0.00
    30   1     0.00   0.02  -0.00     0.01   0.20   0.03     0.00   0.06   0.02
    31   1     0.01  -0.01  -0.01     0.06  -0.11  -0.07     0.01  -0.06  -0.02
    32   1     0.00   0.02   0.00    -0.30   0.25   0.37    -0.12   0.09   0.15
    33   1     0.01   0.01   0.01    -0.19   0.16   0.11    -0.08   0.04   0.02
    34   1     0.01  -0.00   0.01     0.20   0.15  -0.11     0.08   0.04  -0.02
    35   1     0.00  -0.02  -0.00     0.31   0.24  -0.37     0.12   0.08  -0.15
    36   1    -0.00  -0.01  -0.00     0.00   0.20  -0.03    -0.00   0.05  -0.02
    37   1     0.00   0.01  -0.00    -0.06  -0.11   0.07    -0.01  -0.06   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8905              1503.4571              1503.9151
 Red. masses --      1.0801                 1.0800                 1.0826
 Frc consts  --      1.4374                 1.4384                 1.4427
 IR Inten    --     32.4558                25.4529                16.8824
 RamAct Fr= 1--      4.3537                 9.0287                 7.1596
  Dep-P Fr= 1--      0.6496                 0.5655                 0.3345
  Dep-U Fr= 1--      0.7876                 0.7224                 0.5013
 Alpha2 Fr= 1--      0.0079                 0.0315                 0.0661
 Beta2  Fr= 1--      0.5715                 1.0871                 0.5982
 AlphaG Fr= 1--      0.0009                 0.0501                 0.0425
 Gamma2 Fr= 1--     -0.5991                 0.2995                -0.4371
 Delta2 Fr= 1--     -1.0321                 0.4531                 0.6553
 Raman1 Fr= 1--      17.415                 36.115                 28.638
 ROA1   Fr= 1--     -90.542                 43.248                -20.990
 CID1   Fr= 1--      -5.199                  1.198                 -0.733
 Raman2 Fr= 1--       6.858                 13.045                  7.178
 ROA2   Fr= 1--      -6.122                  3.563                -15.732
 CID2   Fr= 1--      -0.893                  0.273                 -2.192
 Raman3 Fr= 1--      13.715                 26.091                 14.356
 ROA3   Fr= 1--     -90.542                 43.248                -20.990
 CID3   Fr= 1--      -6.602                  1.658                 -1.462
 RC180  Fr= 1--       0.575                  0.445                  0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.03  -0.04  -0.05
     2   6    -0.01  -0.00   0.01     0.02  -0.00  -0.02     0.01  -0.00  -0.01
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.01   0.00  -0.02     0.01   0.00  -0.01
     7   6    -0.01   0.02  -0.02    -0.03   0.05  -0.05     0.00  -0.00   0.00
     8   7    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   7    -0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    11   6    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.01   0.02   0.01
    12   1    -0.05  -0.21   0.14    -0.12  -0.52   0.33     0.00   0.01  -0.01
    13   1     0.22  -0.04   0.11     0.54  -0.13   0.26    -0.01   0.01   0.00
    14   1     0.06   0.05  -0.05    -0.11  -0.08   0.08    -0.11  -0.08   0.09
    15   1     0.07  -0.06  -0.01    -0.05   0.11   0.09    -0.08   0.11   0.07
    16   1     0.06  -0.05  -0.05    -0.12   0.11   0.10    -0.08   0.06   0.06
    17   1     0.07   0.06  -0.02    -0.11  -0.13   0.08    -0.04  -0.08   0.08
    18   1    -0.01   0.07   0.05     0.00  -0.01  -0.01    -0.09   0.50   0.32
    19   1     0.07   0.01   0.04    -0.02  -0.01   0.00     0.52   0.09   0.26
    20   1     0.02   0.01   0.00    -0.01  -0.01   0.01     0.02   0.01  -0.01
    21   1     0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    22   1    -0.01  -0.01   0.01    -0.03  -0.01   0.01    -0.01  -0.00   0.02
    23   1     0.01  -0.01   0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
    24   1    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.03   0.01   0.01
    25   1     0.02   0.01   0.00     0.03   0.02   0.00     0.00   0.01   0.00
    26   1     0.03  -0.02  -0.00     0.00   0.00  -0.02    -0.01   0.01   0.00
    27   1     0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.01  -0.00
    28   6    -0.03   0.02  -0.00     0.02  -0.01   0.00    -0.02   0.02  -0.01
    29   7    -0.00   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.01  -0.01     0.00  -0.00   0.01    -0.01  -0.02  -0.02
    31   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    32   1     0.16   0.46  -0.22    -0.04  -0.09   0.05    -0.03  -0.19   0.05
    33   1     0.42   0.15   0.32    -0.09  -0.03  -0.06    -0.15  -0.05  -0.11
    34   1     0.25  -0.11   0.19    -0.15   0.06  -0.12     0.19  -0.07   0.14
    35   1     0.11  -0.27  -0.16    -0.05   0.17   0.08     0.04  -0.23  -0.08
    36   1    -0.01   0.00  -0.02    -0.00   0.01   0.00     0.00  -0.01   0.02
    37   1     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.1808              1504.5459              1504.6550
 Red. masses --      1.0781                 1.0812                 1.0803
 Frc consts  --      1.4372                 1.4420                 1.4410
 IR Inten    --     17.4289                 4.2720                 4.0652
 RamAct Fr= 1--      5.8972                 6.4119                 9.9486
  Dep-P Fr= 1--      0.4748                 0.7249                 0.6061
  Dep-U Fr= 1--      0.6439                 0.8405                 0.7548
 Alpha2 Fr= 1--      0.0326                 0.0028                 0.0264
 Beta2  Fr= 1--      0.6328                 0.8982                 1.2515
 AlphaG Fr= 1--     -0.0317                 0.0261                 0.0568
 Gamma2 Fr= 1--     -3.2304                 3.1061                -2.0533
 Delta2 Fr= 1--     -1.8396                 1.6179                -0.4304
 Raman1 Fr= 1--      23.589                 25.648                 39.794
 ROA1   Fr= 1--    -368.987                349.956               -210.893
 CID1   Fr= 1--     -15.642                 13.645                 -5.300
 Raman2 Fr= 1--       7.594                 10.779                 15.017
 ROA2   Fr= 1--     -62.812                 61.603                -45.837
 CID2   Fr= 1--      -8.271                  5.715                 -3.052
 Raman3 Fr= 1--      15.188                 21.558                 30.035
 ROA3   Fr= 1--    -368.987                349.956               -210.893
 CID3   Fr= 1--     -24.295                 16.233                 -7.022
 RC180  Fr= 1--       0.288                  0.681                  0.510
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01     0.01   0.01   0.01
     2   6     0.04   0.00  -0.03    -0.04  -0.00   0.03    -0.01   0.00   0.01
     3   7     0.01   0.00  -0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
     4  45    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     6   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.06  -0.00  -0.04
     7   6     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    10   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.01   0.00
    12   1     0.04   0.15  -0.10    -0.01  -0.03   0.02     0.02   0.06  -0.04
    13   1    -0.17   0.06  -0.06     0.03  -0.00   0.02    -0.09   0.06   0.02
    14   1    -0.04  -0.03   0.03    -0.01  -0.01   0.01    -0.45  -0.35   0.34
    15   1    -0.04   0.04   0.01     0.00   0.01   0.01    -0.41   0.46   0.22
    16   1    -0.29   0.25   0.23     0.31  -0.27  -0.24     0.08  -0.06  -0.06
    17   1    -0.28  -0.30   0.16     0.32   0.32  -0.15     0.06   0.08  -0.05
    18   1    -0.02   0.13   0.08    -0.05   0.24   0.15     0.02  -0.12  -0.08
    19   1     0.13   0.01   0.09     0.28   0.10   0.07    -0.13  -0.02  -0.06
    20   1    -0.01  -0.01   0.00    -0.03  -0.02  -0.03     0.00   0.00   0.00
    21   1     0.00  -0.02   0.00    -0.00   0.05  -0.01    -0.00   0.00   0.00
    22   1     0.01   0.00  -0.01    -0.00   0.00   0.03     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.03  -0.02   0.01    -0.01   0.01  -0.00
    24   1    -0.01   0.00  -0.01    -0.01   0.01   0.01     0.01  -0.00  -0.03
    25   1    -0.01  -0.01  -0.00     0.01   0.01   0.00    -0.03  -0.02  -0.01
    26   1     0.02  -0.01   0.02     0.00  -0.00   0.00     0.01  -0.01   0.03
    27   1     0.00   0.02   0.00     0.00   0.00   0.00     0.01   0.05   0.01
    28   6     0.02  -0.03   0.01     0.03  -0.03   0.01    -0.00   0.01  -0.00
    29   7     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    30   1     0.01   0.02   0.03     0.01   0.01   0.03    -0.01  -0.04  -0.01
    31   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01     0.00   0.00  -0.00
    32   1     0.07   0.33  -0.10     0.01   0.11  -0.01     0.04   0.09  -0.06
    33   1     0.27   0.10   0.21     0.08   0.02   0.06     0.09   0.02   0.06
    34   1    -0.25   0.10  -0.19    -0.31   0.12  -0.23     0.04  -0.03   0.04
    35   1    -0.05   0.32   0.09    -0.09   0.37   0.15     0.02  -0.06  -0.02
    36   1    -0.01   0.04  -0.04     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    37   1     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1639.9358              1656.5006              1656.6707
 Red. masses --      1.0767                 1.0790                 1.0792
 Frc consts  --      1.7061                 1.7444                 1.7451
 IR Inten    --    124.8045                38.2782                17.6612
 RamAct Fr= 1--      0.2660                 4.8268                 8.8436
  Dep-P Fr= 1--      0.7485                 0.7483                 0.7500
  Dep-U Fr= 1--      0.8562                 0.8561                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0380                 0.6887                 1.2633
 AlphaG Fr= 1--     -0.0000                -0.0012                -0.0000
 Gamma2 Fr= 1--      0.0920                 2.5123                 6.3679
 Delta2 Fr= 1--      0.1202                 3.5001                 6.4879
 Raman1 Fr= 1--       1.064                 19.307                 35.374
 ROA1   Fr= 1--      12.677                353.180                818.936
 CID1   Fr= 1--      11.914                 18.293                 23.151
 Raman2 Fr= 1--       0.456                  8.264                 15.160
 ROA2   Fr= 1--       1.246                 32.294                100.927
 CID2   Fr= 1--       2.736                  3.908                  6.657
 Raman3 Fr= 1--       0.911                 16.528                 30.320
 ROA3   Fr= 1--      12.677                353.180                818.936
 CID3   Fr= 1--      13.915                 21.368                 27.010
 RC180  Fr= 1--       0.712                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.00   0.00   0.01
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     3   7    -0.02   0.01  -0.02     0.01  -0.01   0.01    -0.02   0.02  -0.02
     4  45    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.03  -0.02  -0.03
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     7   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     8   7    -0.00  -0.03  -0.02    -0.00  -0.04  -0.03     0.00   0.01   0.01
     9   7    -0.00   0.02  -0.02     0.00  -0.03   0.02     0.00  -0.02   0.01
    10   7     0.01  -0.01  -0.03     0.01  -0.01  -0.03    -0.00   0.01   0.01
    11   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.01   0.02   0.00    -0.02   0.00   0.02     0.01   0.02  -0.03
    13   1    -0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.00  -0.01
    14   1     0.01  -0.00   0.00     0.01   0.01  -0.02     0.01  -0.02   0.02
    15   1    -0.01  -0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.00
    16   1     0.01   0.00   0.00    -0.01   0.00   0.01     0.01   0.02   0.02
    17   1    -0.01   0.00  -0.00     0.00  -0.01   0.01    -0.02  -0.01  -0.00
    18   1    -0.01  -0.02   0.00     0.01   0.01  -0.01     0.02  -0.01  -0.03
    19   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.00  -0.01
    20   1    -0.06  -0.09   0.29     0.08   0.12  -0.36     0.04   0.06  -0.21
    21   1     0.13  -0.28   0.02    -0.15   0.36  -0.02    -0.09   0.21  -0.01
    22   1     0.08   0.01   0.23    -0.05  -0.00  -0.13     0.13   0.01   0.35
    23   1     0.13  -0.20   0.02    -0.09   0.10  -0.01     0.22  -0.31   0.04
    24   1     0.09  -0.01   0.24    -0.01   0.00  -0.03     0.15  -0.02   0.43
    25   1     0.14   0.20   0.02    -0.01  -0.03  -0.01     0.29   0.37   0.04
    26   1    -0.05   0.10   0.29    -0.08   0.14   0.41     0.01  -0.02  -0.09
    27   1     0.14   0.28   0.02     0.19   0.41   0.03    -0.04  -0.09  -0.01
    28   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    30   1     0.09   0.03   0.29     0.08   0.04   0.26    -0.04  -0.02  -0.11
    31   1    -0.25   0.09   0.15    -0.23   0.08   0.14     0.09  -0.04  -0.06
    32   1     0.00  -0.00  -0.01    -0.01  -0.02   0.02    -0.00   0.00   0.01
    33   1     0.00   0.02   0.01    -0.03   0.01  -0.01    -0.01  -0.00  -0.00
    34   1     0.00  -0.01   0.01     0.03   0.01   0.01     0.01   0.01   0.00
    35   1     0.00   0.00  -0.01     0.01  -0.02  -0.02     0.00  -0.01   0.00
    36   1     0.09  -0.03   0.28    -0.06   0.03  -0.20    -0.07   0.04  -0.24
    37   1    -0.25  -0.08   0.15     0.18   0.05  -0.11     0.21   0.07  -0.12
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1658.5805              1668.9977              1671.3693
 Red. masses --      1.0784                 1.0770                 1.0763
 Frc consts  --      1.7478                 1.7676                 1.7714
 IR Inten    --      0.4562                29.4404                19.4499
 RamAct Fr= 1--      7.2096                 4.8790                 3.3817
  Dep-P Fr= 1--      0.7326                 0.7481                 0.7500
  Dep-U Fr= 1--      0.8457                 0.8559                 0.8571
 Alpha2 Fr= 1--      0.0021                 0.0002                 0.0000
 Beta2  Fr= 1--      1.0162                 0.6960                 0.4831
 AlphaG Fr= 1--     -0.0217                -0.0006                 0.0000
 Gamma2 Fr= 1--    -14.7767                 4.2830                 3.4504
 Delta2 Fr= 1--     -6.7193                 1.0728                 0.0366
 Raman1 Fr= 1--      28.838                 19.516                 13.527
 ROA1   Fr= 1--   -1633.575                445.503                332.408
 CID1   Fr= 1--     -56.646                 22.828                 24.574
 Raman2 Fr= 1--      12.194                  8.352                  5.797
 ROA2   Fr= 1--    -300.885                 94.211                 82.516
 CID2   Fr= 1--     -24.675                 11.280                 14.234
 Raman3 Fr= 1--      24.388                 16.703                 11.594
 ROA3   Fr= 1--   -1633.575                445.503                332.408
 CID3   Fr= 1--     -66.983                 26.671                 28.670
 RC180  Fr= 1--       0.691                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   7    -0.02   0.02  -0.02    -0.02   0.02  -0.03    -0.00   0.00  -0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7     0.02   0.01   0.02     0.02   0.02   0.02    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
     7   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.01
     8   7    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00   0.03   0.02
     9   7     0.00  -0.02   0.01    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   7    -0.01   0.01   0.03     0.01  -0.01  -0.03     0.01  -0.01  -0.03
    11   6    -0.01  -0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.01
    12   1    -0.01  -0.00   0.02     0.00  -0.01   0.00     0.01  -0.01  -0.02
    13   1     0.01   0.01   0.01     0.00   0.01   0.01    -0.01   0.00  -0.00
    14   1     0.00   0.02  -0.02    -0.02   0.00  -0.01    -0.01  -0.01   0.02
    15   1     0.00  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1     0.00   0.02   0.03     0.02   0.01   0.01    -0.01   0.01   0.02
    17   1    -0.01  -0.02   0.02    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    18   1     0.01  -0.00  -0.02     0.00  -0.01  -0.01     0.01   0.01  -0.02
    19   1    -0.01   0.01  -0.02    -0.01   0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.03   0.06  -0.23    -0.01  -0.03   0.10     0.06   0.10  -0.34
    21   1    -0.10   0.21  -0.02     0.04  -0.09   0.01    -0.14   0.33  -0.02
    22   1     0.09  -0.00   0.32     0.11  -0.00   0.38     0.00   0.00   0.01
    23   1     0.19  -0.28   0.03     0.23  -0.33   0.04     0.02   0.00  -0.00
    24   1    -0.06  -0.00  -0.26    -0.10  -0.00  -0.36     0.01  -0.00   0.02
    25   1    -0.16  -0.21  -0.03    -0.23  -0.30  -0.04     0.03   0.01   0.00
    26   1    -0.02   0.06   0.22     0.01  -0.04  -0.13     0.05  -0.10  -0.32
    27   1     0.10   0.20   0.01    -0.06  -0.12  -0.01    -0.14  -0.31  -0.02
    28   6     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.01
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.03     0.01   0.01  -0.03
    30   1    -0.10  -0.02  -0.32     0.09   0.04   0.28     0.10   0.03   0.32
    31   1     0.27  -0.09  -0.16    -0.23   0.09   0.14    -0.28   0.10   0.17
    32   1     0.01   0.02  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.01
    33   1     0.02  -0.01   0.00    -0.02   0.01  -0.00     0.01   0.02   0.01
    34   1    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.00  -0.02   0.01
    35   1    -0.01   0.02   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.01
    36   1     0.09  -0.02   0.29    -0.08   0.04  -0.26     0.11  -0.03   0.35
    37   1    -0.25  -0.07   0.15     0.22   0.07  -0.14    -0.30  -0.09   0.18
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3068.8507              3070.7181              3071.1920
 Red. masses --      1.0636                 1.0634                 1.0632
 Frc consts  --      5.9015                 5.9076                 5.9083
 IR Inten    --      5.4920                 5.5694                 5.5354
 RamAct Fr= 1--    225.9465               194.2666               212.2480
  Dep-P Fr= 1--      0.0333                 0.0378                 0.0353
  Dep-U Fr= 1--      0.0645                 0.0729                 0.0682
 Alpha2 Fr= 1--      4.6431                 3.9500                 4.3412
 Beta2  Fr= 1--      2.4293                 2.3593                 2.4133
 AlphaG Fr= 1--     -0.5089                 0.1721                 0.1765
 Gamma2 Fr= 1--     -4.6579                 7.1592                 4.0088
 Delta2 Fr= 1--     -1.7130                 6.3759                 4.3706
 Raman1 Fr= 1--     903.786                777.067                848.992
 ROA1   Fr= 1--    -501.979                891.315                524.702
 CID1   Fr= 1--      -0.555                  1.147                  0.618
 Raman2 Fr= 1--      29.151                 28.312                 28.959
 ROA2   Fr= 1--     -98.087                120.814                 61.246
 CID2   Fr= 1--      -3.365                  4.267                  2.115
 Raman3 Fr= 1--      58.302                 56.624                 57.918
 ROA3   Fr= 1--    -501.979                891.315                524.702
 CID3   Fr= 1--      -8.610                 15.741                  9.059
 RC180  Fr= 1--      -0.871                 -0.854                 -0.864
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.03   0.03
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.01  -0.04
     3   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.04   0.03    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00   0.00    -0.36  -0.03  -0.12     0.00   0.00   0.00
    13   1    -0.01  -0.01   0.01     0.28   0.45  -0.27    -0.00  -0.01   0.00
    14   1     0.00  -0.01  -0.00    -0.13   0.33   0.10     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.01    -0.29  -0.44   0.27     0.01   0.01  -0.01
    16   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.17  -0.36   0.12
    17   1    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.29   0.49   0.29
    18   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.32   0.04  -0.11
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.01     0.23  -0.42  -0.25
    20   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    31   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   1     0.46  -0.00   0.43     0.00   0.00   0.00    -0.02   0.00  -0.01
    33   1     0.04   0.30  -0.24     0.00   0.00  -0.00    -0.00  -0.01   0.01
    34   1    -0.02   0.26   0.21    -0.00   0.01   0.01    -0.00   0.00   0.00
    35   1    -0.42   0.02  -0.39    -0.02   0.00  -0.02    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.6836              3075.9126              3076.3064
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9062                 5.9112                 5.9126
 IR Inten    --      8.4237                 7.5395                 9.6992
 RamAct Fr= 1--     36.5214                33.4560                49.7598
  Dep-P Fr= 1--      0.7339                 0.7474                 0.6988
  Dep-U Fr= 1--      0.8465                 0.8554                 0.8227
 Alpha2 Fr= 1--      0.0101                 0.0015                 0.0445
 Beta2  Fr= 1--      5.1526                 4.7699                 6.8226
 AlphaG Fr= 1--     -0.0010                 0.0008                -0.0048
 Gamma2 Fr= 1--      8.9986                -5.7046                -7.2839
 Delta2 Fr= 1--      5.8867                -4.5185                -5.6263
 Raman1 Fr= 1--     146.086                133.824                199.039
 ROA1   Fr= 1--    1052.238               -692.232               -879.295
 CID1   Fr= 1--       7.203                 -5.173                 -4.418
 Raman2 Fr= 1--      61.831                 57.239                 81.871
 ROA2   Fr= 1--     168.872               -100.763               -129.803
 CID2   Fr= 1--       2.731                 -1.760                 -1.585
 Raman3 Fr= 1--     123.663                114.477                163.743
 ROA3   Fr= 1--    1052.238               -692.232               -879.295
 CID3   Fr= 1--       8.509                 -6.047                 -5.370
 RC180  Fr= 1--       0.693                  0.711                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.02  -0.03  -0.04
     2   6    -0.00   0.00   0.00     0.01   0.00  -0.01     0.03   0.01  -0.03
     3   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04  -0.01  -0.03    -0.01   0.00   0.01
     7   6    -0.00   0.00  -0.00    -0.02   0.03  -0.03     0.00  -0.01   0.01
     8   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.03   0.03   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00     0.48   0.03   0.15    -0.09  -0.01  -0.03
    13   1    -0.01  -0.01   0.01    -0.22  -0.36   0.22     0.04   0.07  -0.04
    14   1     0.00  -0.00  -0.00    -0.19   0.44   0.14     0.03  -0.08  -0.02
    15   1     0.00   0.00  -0.00    -0.24  -0.37   0.23     0.04   0.07  -0.04
    16   1     0.00   0.01  -0.00    -0.03  -0.07   0.02    -0.19  -0.39   0.12
    17   1     0.01  -0.01  -0.01    -0.04   0.06   0.04    -0.19   0.33   0.20
    18   1     0.01  -0.00   0.00     0.09  -0.01   0.03     0.52  -0.05   0.17
    19   1    -0.01   0.01   0.01    -0.04   0.07   0.04    -0.23   0.40   0.24
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    28   6     0.04  -0.04   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.35   0.00  -0.32     0.01  -0.00   0.01    -0.00   0.00  -0.00
    33   1    -0.05  -0.37   0.29     0.00   0.01  -0.00    -0.00   0.00  -0.00
    34   1    -0.03   0.40   0.32     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    35   1    -0.39   0.01  -0.36     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.5617              3116.3029              3116.5435
 Red. masses --      1.1071                 1.1076                 1.1078
 Frc consts  --      6.3315                 6.3376                 6.3394
 IR Inten    --      8.9964                10.0790                 4.5510
 RamAct Fr= 1--    133.1816               125.6828               139.6841
  Dep-P Fr= 1--      0.4481                 0.5912                 0.2373
  Dep-U Fr= 1--      0.6188                 0.7431                 0.3836
 Alpha2 Fr= 1--      0.8228                 0.3715                 1.7149
 Beta2  Fr= 1--     13.7365                15.5664                 8.9306
 AlphaG Fr= 1--      0.1392                -0.1720                -0.8279
 Gamma2 Fr= 1--    -27.8601                -3.9965                58.4196
 Delta2 Fr= 1--    -19.6747               -19.4630                32.3675
 Raman1 Fr= 1--     532.726                502.731                558.737
 ROA1   Fr= 1--   -3304.155              -1006.484               6644.046
 CID1   Fr= 1--      -6.202                 -2.002                 11.891
 Raman2 Fr= 1--     164.838                186.796                107.167
 ROA2   Fr= 1--    -511.244                 59.788               1143.131
 CID2   Fr= 1--      -3.101                  0.320                 10.667
 Raman3 Fr= 1--     329.677                373.593                214.334
 ROA3   Fr= 1--   -3304.155              -1006.484               6644.046
 CID3   Fr= 1--     -10.022                 -2.694                 30.999
 RC180  Fr= 1--       0.238                  0.486                 -0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.02   0.00    -0.01  -0.06   0.00
     3   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.06   0.00     0.00  -0.02  -0.00
     7   6     0.00   0.00   0.00    -0.06  -0.02  -0.00     0.02   0.01   0.00
     8   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.03  -0.00  -0.01     0.52   0.02   0.18    -0.20  -0.01  -0.07
    13   1    -0.01  -0.02   0.01     0.16   0.26  -0.17    -0.06  -0.10   0.06
    14   1    -0.01   0.03   0.01     0.22  -0.49  -0.17    -0.08   0.19   0.07
    15   1     0.01   0.02  -0.01    -0.17  -0.25   0.16     0.06   0.09  -0.06
    16   1     0.01   0.02  -0.01     0.09   0.19  -0.07     0.25   0.49  -0.17
    17   1    -0.01   0.01   0.01    -0.06   0.10   0.06    -0.16   0.26   0.17
    18   1     0.03  -0.00   0.01     0.19  -0.02   0.07     0.50  -0.04   0.18
    19   1     0.01  -0.01  -0.01     0.06  -0.10  -0.06     0.14  -0.27  -0.16
    20   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    28   6    -0.02  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.27  -0.00  -0.24    -0.01  -0.00  -0.01     0.02   0.00   0.02
    33   1     0.08   0.48  -0.37     0.00   0.02  -0.02    -0.01  -0.03   0.03
    34   1    -0.06   0.47   0.36    -0.00   0.02   0.01     0.00  -0.03  -0.02
    35   1     0.26  -0.02   0.23     0.01  -0.00   0.01    -0.02   0.00  -0.02
    36   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5685              3126.8136              3127.1841
 Red. masses --      1.1102                 1.1101                 1.1101
 Frc consts  --      6.3901                 6.3949                 6.3960
 IR Inten    --      4.5984                 2.6386                 3.6640
 RamAct Fr= 1--     48.2405                53.7167                44.1475
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      6.8914                 7.6731                 6.3066
 AlphaG Fr= 1--      0.0000                 0.0007                 0.0003
 Gamma2 Fr= 1--     27.5004               -34.6735               -28.6018
 Delta2 Fr= 1--      5.1724                -5.0085                -3.9842
 Raman1 Fr= 1--     192.962                214.867                176.590
 ROA1   Fr= 1--    2805.556              -3488.933              -2873.268
 CID1   Fr= 1--      14.539                -16.238                -16.271
 Raman2 Fr= 1--      82.696                 92.077                 75.680
 ROA2   Fr= 1--     618.630               -792.097               -654.570
 CID2   Fr= 1--       7.481                 -8.603                 -8.649
 Raman3 Fr= 1--     165.393                184.154                151.360
 ROA3   Fr= 1--    2805.556              -3488.933              -2873.268
 CID3   Fr= 1--      16.963                -18.946                -18.983
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.06   0.04   0.01
     2   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.07   0.01
     3   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.07   0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00    -0.06  -0.03   0.01    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.03  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.02   0.00   0.01     0.46   0.02   0.16     0.04   0.00   0.01
    13   1     0.01   0.01  -0.01     0.23   0.38  -0.24     0.02   0.03  -0.02
    14   1    -0.01   0.02   0.01    -0.19   0.43   0.15    -0.02   0.04   0.01
    15   1     0.01   0.01  -0.01     0.24   0.36  -0.24     0.02   0.03  -0.02
    16   1    -0.01  -0.01   0.00     0.02   0.03  -0.01    -0.20  -0.41   0.14
    17   1     0.01  -0.01  -0.01    -0.02   0.03   0.02     0.22  -0.36  -0.23
    18   1     0.01  -0.00   0.00    -0.04   0.00  -0.01     0.46  -0.04   0.16
    19   1     0.01  -0.01  -0.01    -0.02   0.04   0.02     0.22  -0.41  -0.25
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    21   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.02   0.01
    23   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.03  -0.03  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.36   0.00   0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    33   1    -0.07  -0.39   0.30     0.00   0.01  -0.01     0.00   0.01  -0.01
    34   1    -0.05   0.40   0.31     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    35   1     0.37  -0.02   0.33    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.7968              3431.9090              3432.9512
 Red. masses --      1.0521                 1.0524                 1.0525
 Frc consts  --      7.2965                 7.3032                 7.3084
 IR Inten    --     57.2342                43.1794                29.0205
 RamAct Fr= 1--      6.2511                31.5530                27.6454
  Dep-P Fr= 1--      0.7138                 0.1934                 0.0999
  Dep-U Fr= 1--      0.8330                 0.3241                 0.1816
 Alpha2 Fr= 1--      0.0039                 0.4361                 0.4842
 Beta2  Fr= 1--      0.8679                 1.7042                 0.8366
 AlphaG Fr= 1--      0.0015                 0.1197                 0.5440
 Gamma2 Fr= 1--      8.9425                 4.0073                 5.7465
 Delta2 Fr= 1--     -0.5472                 2.5964                -2.2259
 Raman1 Fr= 1--      25.004                126.212                110.582
 ROA1   Fr= 1--     840.965                467.787                480.431
 CID1   Fr= 1--      33.633                  3.706                  4.345
 Raman2 Fr= 1--      10.414                 20.451                 10.039
 ROA2   Fr= 1--     218.997                 75.404                155.723
 CID2   Fr= 1--      21.029                  3.687                 15.511
 Raman3 Fr= 1--      20.828                 40.902                 20.079
 ROA3   Fr= 1--     840.965                467.787                480.431
 CID3   Fr= 1--      40.376                 11.437                 23.927
 RC180  Fr= 1--       0.666                 -0.352                 -0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   7     0.00  -0.00   0.01    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.01  -0.01
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7    -0.02  -0.03  -0.03     0.01   0.02   0.02     0.01   0.02   0.01
     9   7    -0.01   0.03  -0.02    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    10   7    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.01   0.00   0.03
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    18   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    20   1     0.27  -0.38  -0.10     0.25  -0.35  -0.09     0.13  -0.18  -0.05
    21   1    -0.09   0.02   0.44    -0.08   0.02   0.41    -0.04   0.01   0.21
    22   1    -0.03   0.08   0.01     0.12  -0.27  -0.05    -0.16   0.39   0.07
    23   1    -0.00  -0.02  -0.08     0.01   0.06   0.28    -0.01  -0.08  -0.37
    24   1    -0.03  -0.06   0.01    -0.12  -0.25   0.05     0.05   0.10  -0.02
    25   1    -0.00   0.01  -0.06    -0.01   0.06  -0.26     0.00  -0.02   0.09
    26   1     0.32   0.42  -0.11    -0.23  -0.29   0.08    -0.17  -0.22   0.06
    27   1    -0.10  -0.02   0.49     0.07   0.01  -0.35     0.05   0.01  -0.25
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
    30   1     0.03  -0.00  -0.01    -0.07   0.01   0.02     0.36  -0.06  -0.08
    31   1    -0.02   0.00  -0.03     0.04  -0.01   0.07    -0.23   0.05  -0.37
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.01
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   1     0.03   0.00  -0.01     0.08   0.01  -0.02    -0.17  -0.02   0.04
    37   1    -0.02  -0.00  -0.03    -0.05  -0.01  -0.08     0.11   0.02   0.17
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.1145              3433.9272              3434.9751
 Red. masses --      1.0525                 1.0528                 1.0527
 Frc consts  --      7.3087                 7.3146                 7.3180
 IR Inten    --    113.8432                10.1638                 0.2106
 RamAct Fr= 1--      3.2818                16.8480               355.7445
  Dep-P Fr= 1--      0.1585                 0.7155                 0.0110
  Dep-U Fr= 1--      0.2737                 0.8341                 0.0218
 Alpha2 Fr= 1--      0.0496                 0.0100                 7.7044
 Beta2  Fr= 1--      0.1497                 2.3423                 1.2924
 AlphaG Fr= 1--      0.0678                -0.0019                 0.3528
 Gamma2 Fr= 1--      1.6662                -7.0981               -15.2902
 Delta2 Fr= 1--     -0.3248                -0.8660                -1.8344
 Raman1 Fr= 1--      13.127                 67.392               1422.978
 ROA1   Fr= 1--     149.560               -709.131              -1526.554
 CID1   Fr= 1--      11.393                -10.523                 -1.073
 Raman2 Fr= 1--       1.796                 28.107                 15.508
 ROA2   Fr= 1--      42.587               -163.427               -352.289
 CID2   Fr= 1--      23.707                 -5.814                -22.716
 Raman3 Fr= 1--       3.593                 56.215                 31.016
 ROA3   Fr= 1--     149.560               -709.131              -1526.554
 CID3   Fr= 1--      41.627                -12.615                -49.218
 RC180  Fr= 1--      -0.453                  0.668                 -0.956
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   7    -0.01   0.01  -0.01     0.01  -0.02   0.02    -0.01   0.02  -0.02
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.02  -0.02  -0.02     0.01   0.02   0.02     0.01   0.02   0.02
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     9   7    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01   0.01
    10   7     0.00  -0.00  -0.01     0.01  -0.00  -0.03    -0.01   0.00   0.03
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.10  -0.14  -0.03    -0.01   0.02   0.00    -0.09   0.13   0.03
    21   1    -0.03   0.01   0.15     0.00  -0.00  -0.02     0.03  -0.01  -0.13
    22   1     0.10  -0.23  -0.04    -0.13   0.30   0.06     0.12  -0.28  -0.05
    23   1     0.01   0.05   0.22    -0.01  -0.06  -0.29     0.01   0.06   0.26
    24   1     0.20   0.42  -0.08    -0.14  -0.30   0.06    -0.15  -0.30   0.06
    25   1     0.01  -0.09   0.41    -0.01   0.07  -0.30    -0.01   0.06  -0.29
    26   1    -0.01  -0.01   0.00    -0.02  -0.02   0.01     0.09   0.12  -0.03
    27   1     0.00   0.00  -0.02     0.01   0.00  -0.02    -0.03  -0.00   0.12
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   7     0.01   0.00  -0.03     0.01   0.00  -0.03     0.01   0.00  -0.03
    30   1    -0.15   0.02   0.04    -0.36   0.06   0.08     0.32  -0.05  -0.07
    31   1     0.10  -0.02   0.15     0.24  -0.05   0.37    -0.21   0.04  -0.32
    32   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.01
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    34   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.01
    36   1    -0.38  -0.04   0.09    -0.32  -0.04   0.07    -0.34  -0.04   0.08
    37   1     0.25   0.04   0.38     0.21   0.03   0.32     0.22   0.03   0.34
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6677              3480.9021              3481.4934
 Red. masses --      1.0931                 1.0930                 1.0929
 Frc consts  --      7.8024                 7.8026                 7.8049
 IR Inten    --      3.8485                27.7264                86.2970
 RamAct Fr= 1--     10.1505                 5.2444                 2.3541
  Dep-P Fr= 1--      0.7494                 0.6975                 0.6881
  Dep-U Fr= 1--      0.8567                 0.8218                 0.8152
 Alpha2 Fr= 1--      0.0001                 0.0048                 0.0026
 Beta2  Fr= 1--      1.4494                 0.7183                 0.3199
 AlphaG Fr= 1--     -0.0004                -0.0263                -0.0061
 Gamma2 Fr= 1--    -15.0501                 1.9388                -2.3103
 Delta2 Fr= 1--      5.2692                 1.8400                -1.2904
 Raman1 Fr= 1--      40.602                 20.978                  9.416
 ROA1   Fr= 1--   -1276.200                245.009               -263.083
 CID1   Fr= 1--     -31.432                 11.680                -27.939
 Raman2 Fr= 1--      17.393                  8.620                  3.838
 ROA2   Fr= 1--    -403.357                 31.812                -45.125
 CID2   Fr= 1--     -23.191                  3.691                -11.757
 Raman3 Fr= 1--      34.785                 17.240                  7.676
 ROA3   Fr= 1--   -1276.200                245.009               -263.083
 CID3   Fr= 1--     -36.688                 14.212                -34.271
 RC180  Fr= 1--       0.713                  0.644                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   7     0.01  -0.03  -0.04     0.00  -0.01  -0.01    -0.01   0.02   0.03
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7     0.01   0.02  -0.02    -0.01  -0.03   0.03    -0.01  -0.02   0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   7    -0.02  -0.02   0.04    -0.02  -0.02   0.03    -0.02  -0.02   0.03
     9   7    -0.01   0.01   0.02     0.03  -0.03  -0.04    -0.01   0.01   0.02
    10   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.00  -0.01
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.01   0.00     0.01   0.01  -0.01     0.00   0.01  -0.00
    16   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.01   0.01   0.01    -0.00   0.00   0.00     0.00  -0.01  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    20   1     0.12  -0.17  -0.03    -0.29   0.40   0.08     0.11  -0.16  -0.03
    21   1     0.04  -0.00  -0.21    -0.09   0.01   0.52     0.04  -0.00  -0.22
    22   1    -0.16   0.39   0.05    -0.06   0.15   0.02     0.12  -0.28  -0.04
    23   1     0.02   0.08   0.46     0.01   0.03   0.16    -0.02  -0.06  -0.33
    24   1    -0.11  -0.22   0.03     0.14   0.30  -0.04     0.09   0.19  -0.03
    25   1     0.01  -0.05   0.27    -0.01   0.06  -0.35    -0.01   0.04  -0.24
    26   1     0.25   0.32  -0.06     0.17   0.22  -0.04     0.18   0.23  -0.05
    27   1     0.07   0.00  -0.44     0.05   0.00  -0.30     0.06   0.00  -0.33
    28   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    30   1     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.26  -0.04  -0.07
    31   1     0.02  -0.00   0.03    -0.02   0.00  -0.03     0.11  -0.03   0.20
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.01
    36   1     0.04   0.00  -0.01    -0.01  -0.00   0.00     0.38   0.04  -0.11
    37   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.17   0.03   0.29
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.9790              3482.5007              3482.6205
 Red. masses --      1.0926                 1.0926                 1.0926
 Frc consts  --      7.8051                 7.8068                 7.8075
 IR Inten    --      2.4113                33.8471                48.2990
 RamAct Fr= 1--     34.2650                56.1855                41.0107
  Dep-P Fr= 1--      0.6109                 0.7485                 0.7480
  Dep-U Fr= 1--      0.7584                 0.8562                 0.8558
 Alpha2 Fr= 1--      0.0877                 0.0014                 0.0014
 Beta2  Fr= 1--      4.3314                 8.0175                 5.8495
 AlphaG Fr= 1--     -0.0121                -0.0647                -0.0553
 Gamma2 Fr= 1--    -77.7193                57.0662                40.6266
 Delta2 Fr= 1--    -20.9405                 8.3813                 5.2416
 Raman1 Fr= 1--     137.060                224.742                164.043
 ROA1   Fr= 1--   -8131.153               5746.558               4067.885
 CID1   Fr= 1--     -59.326                 25.570                 24.798
 Raman2 Fr= 1--      51.976                 96.209                 70.194
 ROA2   Fr= 1--   -1697.740               1302.538                933.106
 CID2   Fr= 1--     -32.664                 13.539                 13.293
 Raman3 Fr= 1--     103.952                192.419                140.389
 ROA3   Fr= 1--   -8131.153               5746.558               4067.885
 CID3   Fr= 1--     -78.220                 29.865                 28.976
 RC180  Fr= 1--       0.517                  0.712                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7     0.00  -0.01  -0.02     0.01  -0.03  -0.03    -0.00   0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.02   0.03    -0.00  -0.01   0.01     0.01   0.03  -0.03
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   7     0.01   0.01  -0.01     0.02   0.02  -0.03     0.00   0.00  -0.00
     9   7    -0.01   0.01   0.02    -0.00  -0.00   0.00     0.02  -0.02  -0.03
    10   7    -0.05   0.01  -0.02    -0.00   0.00  -0.00    -0.05   0.01  -0.02
    11   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    20   1     0.09  -0.13  -0.03     0.00   0.00   0.00    -0.18   0.26   0.05
    21   1     0.03  -0.00  -0.18     0.00  -0.00  -0.01    -0.06   0.00   0.35
    22   1    -0.07   0.17   0.02    -0.13   0.30   0.04     0.02  -0.05  -0.01
    23   1     0.01   0.04   0.21     0.02   0.06   0.37    -0.00  -0.01  -0.06
    24   1     0.12   0.26  -0.04     0.06   0.12  -0.02    -0.15  -0.31   0.04
    25   1    -0.01   0.05  -0.32    -0.01   0.02  -0.14     0.02  -0.07   0.40
    26   1    -0.07  -0.09   0.02    -0.19  -0.24   0.05    -0.03  -0.04   0.01
    27   1    -0.02  -0.00   0.12    -0.06  -0.00   0.34    -0.01   0.00   0.05
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   7     0.04   0.00   0.01    -0.05  -0.01  -0.02    -0.01  -0.00  -0.00
    30   1     0.47  -0.07  -0.13     0.03  -0.00  -0.01     0.48  -0.07  -0.14
    31   1     0.20  -0.05   0.35     0.01  -0.00   0.02     0.21  -0.05   0.38
    32   1     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
    33   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    35   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    36   1    -0.35  -0.04   0.10     0.50   0.05  -0.14     0.10   0.01  -0.03
    37   1    -0.15  -0.03  -0.26     0.23   0.04   0.39     0.04   0.01   0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  7 and mass  14.00307
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2573.971562610.576283843.64264
           X            1.00000  -0.00052  -0.00033
           Y            0.00052   1.00000   0.00001
           Z            0.00033  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03365     0.03318     0.02253
 Rotational constants (GHZ):           0.70115     0.69132     0.46954
 Zero-point vibrational energy     925981.6 (Joules/Mol)
                                  221.31492 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    121.13   126.52   146.45   207.96   208.88
          (Kelvin)            234.63   309.72   313.44   318.79   359.51
                              417.78   435.00   441.07   474.88   477.00
                              576.66   578.43   581.77   662.68   667.75
                              724.59   768.36   782.28   804.18   979.22
                              987.22  1028.71  1068.34  1072.44  1104.84
                             1246.32  1246.42  1248.31  1250.17  1255.52
                             1257.55  1412.45  1414.40  1415.03  1436.63
                             1439.93  1451.24  1508.14  1509.04  1511.21
                             1599.42  1609.80  1610.51  1684.28  1686.57
                             1711.83  1760.29  1764.39  1790.93  1859.32
                             1859.77  1866.53  1915.67  1918.93  1928.42
                             1938.76  1940.42  1943.00  2020.98  2022.02
                             2024.24  2076.37  2078.80  2079.57  2162.32
                             2163.14  2163.80  2164.18  2164.71  2164.86
                             2359.50  2383.33  2383.58  2386.33  2401.32
                             2404.73  4415.39  4418.08  4418.76  4423.78
                             4425.55  4426.12  4482.60  4483.66  4484.01
                             4497.00  4498.79  4499.32  4936.15  4937.75
                             4939.25  4939.49  4940.66  4942.16  5007.90
                             5008.24  5009.09  5009.79  5010.54  5010.71
 
 Zero-point correction=                           0.352688 (Hartree/Particle)
 Thermal correction to Energy=                    0.367694
 Thermal correction to Enthalpy=                  0.368638
 Thermal correction to Gibbs Free Energy=         0.312213
 Sum of electronic and zero-point Energies=           -681.282782
 Sum of electronic and thermal Energies=              -681.267775
 Sum of electronic and thermal Enthalpies=            -681.266831
 Sum of electronic and thermal Free Energies=         -681.323256
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.732             60.537            118.757
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.624
 Vibrational            228.954             54.575             44.313
 Vibration     1          0.601              1.960              3.791
 Vibration     2          0.601              1.958              3.706
 Vibration     3          0.604              1.948              3.420
 Vibration     4          0.616              1.909              2.743
 Vibration     5          0.617              1.908              2.734
 Vibration     6          0.623              1.888              2.514
 Vibration     7          0.645              1.818              1.999
 Vibration     8          0.646              1.814              1.977
 Vibration     9          0.648              1.808              1.946
 Vibration    10          0.663              1.763              1.731
 Vibration    11          0.686              1.692              1.472
 Vibration    12          0.694              1.669              1.404
 Vibration    13          0.697              1.661              1.381
 Vibration    14          0.713              1.615              1.260
 Vibration    15          0.714              1.613              1.253
 Vibration    16          0.767              1.468              0.960
 Vibration    17          0.768              1.466              0.955
 Vibration    18          0.770              1.461              0.947
 Vibration    19          0.818              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.859              1.242              0.649
 Vibration    22          0.889              1.175              0.578
 Vibration    23          0.899              1.153              0.557
 Vibration    24          0.915              1.120              0.526
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.246609-143       -143.607991       -330.669620
 Total V=0       0.413979D+19         18.616978         42.867176
 Vib (Bot)       0.723990-158       -158.140268       -364.131423
 Vib (Bot)    1  0.244454D+01          0.388197          0.893857
 Vib (Bot)    2  0.233900D+01          0.369030          0.849723
 Vib (Bot)    3  0.201551D+01          0.304384          0.700871
 Vib (Bot)    4  0.140501D+01          0.147681          0.340047
 Vib (Bot)    5  0.139859D+01          0.145690          0.335465
 Vib (Bot)    6  0.123851D+01          0.092899          0.213909
 Vib (Bot)    7  0.920700D+00         -0.035882         -0.082621
 Vib (Bot)    8  0.908802D+00         -0.041531         -0.095628
 Vib (Bot)    9  0.892156D+00         -0.049559         -0.114114
 Vib (Bot)   10  0.781136D+00         -0.107274         -0.247006
 Vib (Bot)   11  0.658450D+00         -0.181477         -0.417866
 Vib (Bot)   12  0.628179D+00         -0.201916         -0.464930
 Vib (Bot)   13  0.618056D+00         -0.208972         -0.481176
 Vib (Bot)   14  0.566075D+00         -0.247126         -0.569028
 Vib (Bot)   15  0.563059D+00         -0.249446         -0.574371
 Vib (Bot)   16  0.444447D+00         -0.352180         -0.810925
 Vib (Bot)   17  0.442681D+00         -0.353909         -0.814906
 Vib (Bot)   18  0.439390D+00         -0.357150         -0.822369
 Vib (Bot)   19  0.369108D+00         -0.432847         -0.996667
 Vib (Bot)   20  0.365231D+00         -0.437432         -1.007225
 Vib (Bot)   21  0.325296D+00         -0.487721         -1.123019
 Vib (Bot)   22  0.298346D+00         -0.525279         -1.209500
 Vib (Bot)   23  0.290369D+00         -0.537050         -1.236604
 Vib (Bot)   24  0.278359D+00         -0.555395         -1.278844
 Vib (V=0)       0.121535D+05          4.084702          9.405373
 Vib (V=0)    1  0.299515D+01          0.476419          1.096994
 Vib (V=0)    2  0.289184D+01          0.461175          1.061894
 Vib (V=0)    3  0.257660D+01          0.411047          0.946471
 Vib (V=0)    4  0.199133D+01          0.299143          0.688803
 Vib (V=0)    5  0.198528D+01          0.297822          0.685760
 Vib (V=0)    6  0.183563D+01          0.263785          0.607387
 Vib (V=0)    7  0.154771D+01          0.189689          0.436774
 Vib (V=0)    8  0.153727D+01          0.186749          0.430005
 Vib (V=0)    9  0.152271D+01          0.182618          0.420494
 Vib (V=0)   10  0.142746D+01          0.154562          0.355893
 Vib (V=0)   11  0.132677D+01          0.122797          0.282751
 Vib (V=0)   12  0.130288D+01          0.114903          0.264574
 Vib (V=0)   13  0.129498D+01          0.112263          0.258495
 Vib (V=0)   14  0.125528D+01          0.098739          0.227355
 Vib (V=0)   15  0.125302D+01          0.097957          0.225555
 Vib (V=0)   16  0.116898D+01          0.067807          0.156131
 Vib (V=0)   17  0.116781D+01          0.067371          0.155128
 Vib (V=0)   18  0.116563D+01          0.066561          0.153262
 Vib (V=0)   19  0.112148D+01          0.049792          0.114651
 Vib (V=0)   20  0.111919D+01          0.048903          0.112603
 Vib (V=0)   21  0.109650D+01          0.040010          0.092127
 Vib (V=0)   22  0.108225D+01          0.034326          0.079039
 Vib (V=0)   23  0.107820D+01          0.032699          0.075292
 Vib (V=0)   24  0.107226D+01          0.030301          0.069770
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181923D+07          6.259887         14.413923
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000006088    0.000012393   -0.000029127
      2        6          -0.000010412    0.000020222   -0.000034694
      3        7           0.000015876    0.000014806   -0.000008825
      4       45          -0.000147600    0.000110840    0.000102558
      5        7           0.000059605   -0.000019709   -0.000018586
      6        6           0.000014122   -0.000007460    0.000008579
      7        6           0.000002758    0.000001907   -0.000008789
      8        7           0.000029479   -0.000028418   -0.000008724
      9        7          -0.000000888   -0.000028104   -0.000013477
     10        7           0.000010204   -0.000014395    0.000052549
     11        6          -0.000007777   -0.000026181   -0.000004356
     12        1           0.000001921    0.000000267   -0.000006840
     13        1           0.000000492   -0.000007520    0.000003449
     14        1          -0.000002219    0.000001846   -0.000003140
     15        1          -0.000004731    0.000006858    0.000010442
     16        1           0.000002366   -0.000000071    0.000004905
     17        1          -0.000008382    0.000001925    0.000022934
     18        1          -0.000001403   -0.000000853    0.000006386
     19        1          -0.000012893    0.000022904    0.000006771
     20        1           0.000034521    0.000012632    0.000013881
     21        1           0.000013770   -0.000002426    0.000003623
     22        1           0.000008119    0.000021941   -0.000013458
     23        1          -0.000012768   -0.000006964   -0.000017925
     24        1           0.000008942   -0.000011910   -0.000009158
     25        1          -0.000000027   -0.000006176   -0.000006194
     26        1           0.000070267   -0.000031160    0.000022512
     27        1           0.000016582    0.000000349    0.000004700
     28        6           0.000000779   -0.000008409   -0.000004398
     29        7          -0.000017702    0.000033792   -0.000003405
     30        1          -0.000007599   -0.000007372   -0.000002012
     31        1          -0.000018064   -0.000004230   -0.000029566
     32        1          -0.000016680   -0.000003441   -0.000034098
     33        1          -0.000002897   -0.000000294   -0.000001814
     34        1           0.000001088   -0.000001170    0.000000741
     35        1          -0.000004516   -0.000015381    0.000006992
     36        1          -0.000001203   -0.000031990   -0.000012591
     37        1          -0.000007043    0.000000951    0.000000152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000147600 RMS     0.000026321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152215D+03 -0.774556D-02 -0.202096D-01
      2  -0.774556D-02  0.151135D+03 -0.583337D-03
      3  -0.202096D-01 -0.583337D-03  0.123096D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.605069D+00  0.142354D+00  0.123188D+01
      2   0.619609D-01  0.310377D+01 -0.255195D-01
      3   0.180436D+01 -0.832071D-01 -0.492699D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.614336D+01 -0.939121D+02 -0.156223D+00
      2   0.627298D+01  0.997737D+02  0.150641D+00
      3  -0.129620D+00 -0.586162D+01  0.558230D-02
      4  -0.922705D+02  0.629464D+01 -0.453587D+01
      5  -0.153067D+00  0.570026D+00 -0.220094D+00
      6  -0.799140D+01  0.129175D+00 -0.865725D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.743284D+01  0.607622D+00  0.373854D+01 -0.989442D+00 -0.284928D+01
      2   0.607622D+00 -0.254192D+01 -0.163010D+00 -0.284928D+01  0.100057D+01
      3   0.373854D+01 -0.163010D+00  0.516581D+00 -0.878370D+00  0.222653D+01
                 6             7             8             9            10 
      1  -0.878370D+00  0.332041D+01 -0.251332D+00  0.722309D+00 -0.115523D+01
      2   0.222653D+01 -0.251332D+00  0.164724D+01  0.119911D+01  0.596733D+00
      3   0.112641D+01  0.722309D+00  0.119911D+01 -0.649218D+00 -0.223493D+01
                11            12            13            14            15 
      1   0.596733D+00 -0.223493D+01  0.182846D+01  0.531688D+01 -0.783269D+00
      2   0.411813D+01 -0.102007D-02  0.531688D+01  0.261396D+01 -0.359436D+01
      3  -0.102007D-02  0.963966D+00 -0.783269D+00 -0.359436D+01 -0.253745D+00
                16            17            18            19            20 
      1  -0.191278D+01 -0.575388D+00  0.119330D+01 -0.228577D+01 -0.385595D+01
      2  -0.575388D+00 -0.296886D+01 -0.145109D+00 -0.385595D+01 -0.653194D+01
      3   0.119330D+01 -0.145109D+00  0.748585D+00  0.337721D+01  0.251824D+01
                21            22            23            24            25 
      1   0.337721D+01 -0.215662D+01 -0.438358D+01  0.147356D+01  0.220632D+01
      2   0.251824D+01 -0.438358D+01 -0.355475D+01  0.304812D+01  0.142493D+01
      3  -0.159450D+01  0.147356D+01  0.304812D+01 -0.189260D+01 -0.122499D+01
                26            27            28            29            30 
      1   0.142493D+01 -0.122499D+01  0.721757D-01  0.164696D+01 -0.461850D-02
      2   0.341930D+01 -0.200290D+01  0.164696D+01 -0.133033D+00 -0.168685D+01
      3  -0.200290D+01 -0.134769D+01 -0.461850D-02 -0.168685D+01 -0.393890D-02
                31            32            33            34            35 
      1   0.168815D+01 -0.124692D+00  0.196228D+01 -0.134374D-01 -0.696869D-01
      2  -0.124692D+00 -0.199590D+01 -0.317331D-03 -0.696869D-01 -0.472835D-02
      3   0.196228D+01 -0.317331D-03  0.160161D+00 -0.414217D-03  0.755866D-01
                36            37            38            39            40 
      1  -0.414217D-03  0.182651D+01 -0.345691D+01 -0.319624D+01 -0.184406D+01
      2   0.755866D-01 -0.345691D+01  0.666775D+01  0.251720D+01  0.444120D+01
      3  -0.376730D-02 -0.319624D+01  0.251720D+01  0.150906D+01  0.146936D+01
                41            42            43            44            45 
      1   0.444120D+01  0.146936D+01 -0.209547D+01  0.136394D+01  0.113215D+01
      2  -0.422863D+01 -0.322345D+01  0.136394D+01 -0.354861D+01 -0.204650D+01
      3  -0.322345D+01 -0.195198D+01  0.113215D+01 -0.204650D+01  0.134934D+01
                46            47            48            49            50 
      1   0.126530D+01  0.125995D+00  0.220665D+01  0.132588D+01 -0.526200D+01
      2   0.125995D+00 -0.398703D+01  0.502512D-01 -0.526200D+01  0.324594D+01
      3   0.220665D+01  0.502512D-01 -0.974210D+00 -0.725333D+00  0.362100D+01
                51            52            53            54            55 
      1  -0.725333D+00  0.188483D+01 -0.531457D+00 -0.120180D+01 -0.735800D+01
      2   0.362100D+01 -0.531457D+00  0.301986D+01 -0.109036D+00  0.114518D+01
      3  -0.209542D+00 -0.120180D+01 -0.109036D+00 -0.734365D+00 -0.375975D+01
                56            57            58            59            60 
      1   0.114518D+01 -0.375975D+01 -0.448438D+00  0.288962D+01 -0.809908D+00
      2   0.246213D+01 -0.810180D-01  0.288962D+01  0.626732D+00 -0.218349D+01
      3  -0.810180D-01 -0.475111D+00 -0.809908D+00 -0.218349D+01  0.115005D+01
                61            62            63            64            65 
      1  -0.332535D+01 -0.172304D+00 -0.655227D+00  0.103035D+02 -0.130927D+01
      2  -0.172304D+00 -0.162227D+01  0.122578D+01 -0.130927D+01 -0.105062D+01
      3  -0.655227D+00  0.122578D+01  0.647217D+00  0.515104D+01 -0.540659D+00
                66            67            68            69            70 
      1   0.515104D+01 -0.409307D+01 -0.683653D+00 -0.168579D+01  0.447492D+01
      2  -0.540659D+00 -0.683653D+00 -0.480053D+00  0.161977D+01  0.429403D-02
      3   0.270406D+01 -0.168579D+01  0.161977D+01 -0.712947D+00  0.247591D+01
                71            72            73            74            75 
      1   0.429403D-02  0.247591D+01 -0.105407D+02 -0.789802D+00 -0.523279D+01
      2   0.128222D+01 -0.199789D+00 -0.789802D+00  0.112312D+01 -0.387222D+00
      3  -0.199789D+00 -0.124371D+01 -0.523279D+01 -0.387222D+00 -0.272239D+01
                76            77            78            79            80 
      1  -0.358518D+01  0.869244D+00 -0.153137D+01 -0.447629D+01  0.136229D+00
      2   0.869244D+00 -0.593561D+00 -0.152889D+01  0.136229D+00 -0.128954D+01
      3  -0.153137D+01 -0.152889D+01 -0.593895D+00 -0.248629D+01 -0.995333D-01
                81            82            83            84            85 
      1  -0.248629D+01 -0.104022D+00  0.174571D+01  0.707016D+00  0.292118D+01
      2  -0.995333D-01  0.174571D+01  0.206948D+01 -0.138785D+01  0.443983D+01
      3   0.124582D+01  0.707016D+00 -0.138785D+01  0.155604D+01 -0.199896D+01
                86            87            88            89            90 
      1   0.443983D+01 -0.199896D+01  0.325108D-01 -0.134449D+01  0.225562D+01
      2   0.850671D+01 -0.529005D+01 -0.134449D+01 -0.368350D+01  0.122796D+01
      3  -0.529005D+01  0.160804D+01  0.225562D+01  0.122796D+01  0.339319D+00
                91            92            93            94            95 
      1  -0.110002D+01 -0.529309D+00 -0.241295D+01 -0.887885D+00 -0.171742D+01
      2  -0.529309D+00 -0.836247D+00  0.622939D+00 -0.171742D+01 -0.369512D+01
      3  -0.241295D+01  0.622939D+00 -0.156434D+01  0.509737D+00  0.430718D+01
                96            97            98            99           100 
      1   0.509737D+00 -0.307851D+01  0.111470D+01 -0.218652D+01  0.104729D+02
      2   0.430718D+01  0.111470D+01  0.589374D+01 -0.198190D+01 -0.195803D+01
      3  -0.104912D+01 -0.218652D+01 -0.198190D+01  0.113689D+00  0.303597D+01
               101           102           103           104           105 
      1  -0.195803D+01  0.303597D+01  0.919706D-01  0.111691D+01  0.311810D+00
      2   0.133341D+01 -0.443815D+00  0.111691D+01 -0.858632D+00  0.740103D+00
      3  -0.443815D+00  0.205482D+01  0.311810D+00  0.740103D+00 -0.206098D+00
               106           107           108           109           110 
      1   0.295279D+01 -0.527135D+00  0.248356D+01 -0.574864D+00 -0.807168D+00
      2  -0.527135D+00  0.627793D+00 -0.728182D+00 -0.807168D+00 -0.140808D+01
      3   0.248356D+01 -0.728182D+00  0.161684D+01  0.969608D+00  0.515067D+00
               111           112           113           114           115 
      1   0.969608D+00 -0.886323D+00 -0.234570D+00  0.150103D+00  0.116562D+01
      2   0.515067D+00 -0.234570D+00 -0.451175D+01  0.212236D+01 -0.222922D+00
      3  -0.835147D+00  0.150103D+00  0.212236D+01 -0.216790D+01  0.913868D-02
               116           117           118           119           120 
      1  -0.222922D+00  0.913868D-02  0.358075D+01 -0.244911D+01 -0.116319D+01
      2   0.190086D+01 -0.180395D+01 -0.244911D+01  0.252130D+01  0.533617D+00
      3  -0.180395D+01  0.224271D+01 -0.116319D+01  0.533617D+00  0.103143D+01
               121           122           123           124           125 
      1  -0.368526D+01  0.434627D+01  0.130532D+01 -0.141318D+01  0.116574D+01
      2   0.434627D+01 -0.681551D+01 -0.239209D+01  0.116574D+01 -0.194869D+01
      3   0.130532D+01 -0.239209D+01 -0.166137D+01  0.164591D+01 -0.176196D+01
               126           127           128           129           130 
      1   0.164591D+01  0.323965D+01  0.999627D+00 -0.162952D+01  0.211487D+01
      2  -0.176196D+01  0.999627D+00  0.112119D+01 -0.446607D+00  0.148791D+01
      3  -0.137816D+01 -0.162952D+01 -0.446607D+00  0.149969D+01 -0.798223D+00
               131           132           133           134           135 
      1   0.148791D+01 -0.798223D+00 -0.195485D+01 -0.138688D+00  0.155413D+01
      2   0.199460D+01 -0.141136D+01 -0.138688D+00 -0.117673D+01  0.808508D+00
      3  -0.141136D+01  0.165411D+01  0.155413D+01  0.808508D+00 -0.215215D+01
               136           137           138           139           140 
      1  -0.397820D+01 -0.259529D+01  0.124795D+01 -0.390071D+01 -0.436272D+01
      2  -0.259529D+01 -0.259892D+01  0.582396D+00 -0.436272D+01 -0.631984D+01
      3   0.124795D+01  0.582396D+00 -0.109812D+01  0.135920D+01  0.231747D+01
               141           142           143           144           145 
      1   0.135920D+01  0.150272D+01  0.117366D+01 -0.172104D+01 -0.306545D+01
      2   0.231747D+01  0.117366D+01  0.184651D+01 -0.169246D+01  0.101631D+01
      3  -0.161744D+01 -0.172104D+01 -0.169246D+01  0.137943D+01  0.156570D+01
               146           147           148           149           150 
      1   0.101631D+01  0.156570D+01  0.214058D+01 -0.153522D+01 -0.812357D+00
      2  -0.113642D+01 -0.463261D+00 -0.153522D+01  0.218175D+01  0.146487D+01
      3  -0.463261D+00 -0.143321D+01 -0.812357D+00  0.146487D+01  0.172530D+01
               151           152           153           154           155 
      1   0.193596D+01 -0.165899D+00 -0.151576D+01 -0.106390D+02 -0.161353D+01
      2  -0.165899D+00  0.119290D+01  0.870913D+00 -0.161353D+01 -0.120981D+01
      3  -0.151576D+01  0.870913D+00  0.213668D+01 -0.304665D+01 -0.344954D+00
               156           157           158           159           160 
      1  -0.304665D+01  0.430225D+00 -0.110033D+01  0.409884D+00 -0.298494D+01
      2  -0.344954D+00 -0.110033D+01 -0.722998D+00 -0.739032D+00 -0.417160D+00
      3  -0.206320D+01  0.409884D+00 -0.739032D+00 -0.115888D+00 -0.251763D+01
               161           162           163           164           165 
      1  -0.417160D+00 -0.251763D+01  0.450595D+00 -0.762245D+00 -0.939739D+00
      2  -0.582948D+00 -0.620963D+00 -0.762245D+00  0.131484D+01  0.481529D+00
      3  -0.620963D+00 -0.161786D+01 -0.939739D+00  0.481529D+00  0.757288D+00
               166           167           168           169           170 
      1  -0.901411D+00  0.120434D+00  0.103849D+00 -0.118342D+01 -0.247433D+00
      2   0.120434D+00 -0.458461D+01 -0.214722D+01 -0.247433D+00 -0.188614D+01
      3   0.103849D+00 -0.214722D+01 -0.220275D+01 -0.795026D-01 -0.180249D+01
               171           172           173           174           175 
      1  -0.795026D-01 -0.207098D+01  0.173888D+01  0.246323D+00  0.347152D+01
      2  -0.180249D+01  0.173888D+01 -0.216333D+01  0.435289D+00 -0.136759D+01
      3  -0.223489D+01  0.246323D+00  0.435289D+00 -0.327845D+00  0.138864D+01
               176           177           178           179           180 
      1  -0.136759D+01  0.138864D+01  0.184194D+01  0.558573D+00  0.377103D+00
      2   0.328688D+01 -0.151737D+00  0.558573D+00  0.118971D+00  0.735396D+00
      3  -0.151737D+00  0.117261D+01  0.377103D+00  0.735396D+00 -0.162907D+00
               181           182           183           184           185 
      1   0.181117D+01  0.422407D+00  0.398116D+00 -0.785169D-01 -0.680781D+00
      2   0.422407D+00 -0.619694D+00  0.804083D-01 -0.680781D+00  0.864897D-01
      3   0.398116D+00  0.804083D-01  0.773996D+00  0.349481D-01 -0.782330D+00
               186           187           188           189           190 
      1   0.349481D-01 -0.171194D+01 -0.203475D+00 -0.126212D+01  0.137703D+01
      2  -0.782330D+00 -0.203475D+00 -0.993433D+00  0.607026D+00  0.150189D-01
      3   0.142741D+00 -0.126212D+01  0.607026D+00 -0.693326D+01 -0.679529D+00
               191           192           193           194           195 
      1   0.150189D-01 -0.679529D+00 -0.176397D+01  0.953500D+00 -0.123241D+00
      2   0.210407D+01 -0.107060D+01  0.953500D+00 -0.564056D+01  0.795635D+00
      3  -0.107060D+01  0.737335D+00 -0.123241D+00  0.795635D+00 -0.972218D+00
               196           197           198           199           200 
      1  -0.999065D+00 -0.103877D+01  0.731638D+00 -0.324813D+00  0.345341D+00
      2  -0.103877D+01 -0.729548D+00 -0.154598D+00  0.345341D+00  0.825797D+00
      3   0.731638D+00 -0.154598D+00  0.279635D+00  0.406175D+00 -0.429616D+00
               201           202           203           204           205 
      1   0.406175D+00  0.720117D+00  0.129676D+01 -0.555847D+00  0.135495D+01
      2  -0.429616D+00  0.129676D+01  0.348095D+00  0.218574D-01  0.438374D+00
      3   0.329326D+00 -0.555847D+00  0.218574D-01  0.636114D+00 -0.312724D+00
               206           207           208           209           210 
      1   0.438374D+00 -0.312724D+00 -0.137566D+01 -0.655536D-01  0.624791D+00
      2   0.129412D+01 -0.130419D+01 -0.655536D-01 -0.233403D+01 -0.112886D+01
      3  -0.130419D+01  0.685482D+01  0.624791D+00 -0.112886D+01 -0.779578D+00
               211           212           213           214           215 
      1  -0.178456D+01 -0.111692D+01 -0.181572D+00  0.913629D+00 -0.104873D+01
      2  -0.111692D+01 -0.544693D+01 -0.734290D+00 -0.104873D+01  0.833622D+00
      3  -0.181572D+00 -0.734290D+00 -0.937875D+00 -0.741623D+00 -0.117499D+00
               216           217           218           219           220 
      1  -0.741623D+00  0.376856D+00  0.236269D+00 -0.450210D+00  0.586867D+00
      2  -0.117499D+00  0.236269D+00 -0.834284D+00 -0.411386D+00 -0.132139D+01
      3  -0.277559D+00 -0.450210D+00 -0.411386D+00 -0.303159D+00 -0.536205D+00
               221           222           223           224           225 
      1  -0.132139D+01 -0.536205D+00 -0.131946D+01  0.440960D+00  0.252893D+00
      2   0.501142D+00  0.207976D-01  0.440960D+00 -0.133734D+01 -0.132455D+01
      3   0.207976D-01  0.640463D+00  0.252893D+00 -0.132455D+01 -0.685033D+01
               226           227           228           229           230 
      1   0.234547D+01  0.179676D+01 -0.179113D+00  0.347861D+01  0.125907D+01
      2   0.179676D+01  0.213667D+01  0.454237D+00  0.125907D+01  0.313470D+01
      3  -0.179113D+00  0.454237D+00  0.368996D+00  0.140665D+01  0.532611D-01
               231           232           233           234           235 
      1   0.140665D+01 -0.178522D+01  0.635356D+00 -0.347217D+00 -0.175972D+01
      2   0.532611D-01  0.635356D+00 -0.180949D+00  0.754536D+00  0.555555D+00
      3   0.116311D+01 -0.347217D+00  0.754536D+00  0.158376D+00 -0.387612D+00
               236           237           238           239           240 
      1   0.555555D+00 -0.387612D+00  0.536346D-01  0.663231D+00  0.816379D-01
      2   0.580017D+00  0.130904D+00  0.663231D+00  0.282988D-02  0.775048D+00
      3   0.130904D+00 -0.767369D+00  0.816379D-01  0.775048D+00  0.177447D+00
               241           242           243           244           245 
      1   0.169098D+01 -0.235106D+00  0.128489D+01  0.103595D+01 -0.479277D+00
      2  -0.235106D+00  0.101284D+01  0.553534D+00 -0.479277D+00  0.724277D+00
      3   0.128489D+01  0.553534D+00  0.693018D+01  0.245312D+01  0.306748D+00
               246           247           248           249           250 
      1   0.245312D+01 -0.770034D+00  0.160499D+01  0.211320D+00  0.316229D+01
      2   0.306748D+00  0.160499D+01 -0.384015D+01 -0.433654D+01  0.716188D+00
      3   0.152477D+01  0.211320D+00 -0.433654D+01 -0.110391D+01  0.210122D+01
               251           252           253           254           255 
      1   0.716188D+00  0.210122D+01  0.365088D+00  0.144723D+01 -0.858285D+00
      2  -0.599887D+01 -0.209989D+01  0.144723D+01 -0.183012D+01 -0.110460D+01
      3  -0.209989D+01 -0.103208D+00 -0.858285D+00 -0.110460D+01 -0.147233D+01
               256           257           258           259           260 
      1   0.250922D+01 -0.422574D+01 -0.171329D+01 -0.163909D+00 -0.117139D+01
      2  -0.422574D+01  0.894365D+01  0.539206D+01 -0.117139D+01  0.377515D+01
      3  -0.171329D+01  0.539206D+01  0.165607D+01 -0.219358D+01  0.133240D+01
               261           262           263           264           265 
      1  -0.219358D+01  0.518394D+01  0.623954D+00 -0.243733D+01 -0.281295D-01
      2   0.133240D+01  0.623954D+00  0.227229D+01 -0.524598D+00  0.842792D-01
      3  -0.351823D+00 -0.243733D+01 -0.524598D+00  0.188078D+01  0.478222D+00
               266           267           268           269           270 
      1   0.842792D-01  0.478222D+00 -0.167856D+01  0.284502D+00  0.110350D+01
      2  -0.129463D+01  0.777972D+00  0.284502D+00  0.659627D+00 -0.902862D-01
      3   0.777972D+00 -0.408313D+00  0.110350D+01 -0.902862D-01 -0.174260D+01
               271           272           273           274           275 
      1  -0.468046D+00 -0.575332D+00 -0.699508D+00  0.666997D-01 -0.981652D+00
      2  -0.575332D+00 -0.240597D+01  0.113069D+01 -0.981652D+00 -0.320308D+00
      3  -0.699508D+00  0.113069D+01 -0.195060D+01  0.482882D+00 -0.100034D+00
               276           277           278           279           280 
      1   0.482882D+00 -0.986021D+00 -0.763533D-02 -0.545857D+00  0.415802D+01
      2  -0.100034D+00 -0.763533D-02 -0.137139D+01  0.119255D+01  0.116445D+01
      3   0.444413D+00 -0.545857D+00  0.119255D+01 -0.551257D+01  0.166792D+01
               281           282           283           284           285 
      1   0.116445D+01  0.166792D+01  0.539285D+00  0.125292D+01  0.115273D+00
      2   0.213211D+01  0.388411D+00  0.125292D+01  0.965640D+00  0.384016D+00
      3   0.388411D+00  0.146667D+01  0.115273D+00  0.384016D+00  0.275084D+00
               286           287           288           289           290 
      1   0.265350D+01  0.451864D+00  0.180617D+01  0.964333D+00  0.177948D+01
      2   0.451864D+00  0.923731D+00  0.972285D+00  0.177948D+01  0.125613D+01
      3   0.180617D+01  0.972285D+00  0.227769D+01 -0.413099D+00 -0.560943D+00
               291           292           293           294           295 
      1  -0.413099D+00  0.148359D+01  0.162519D+01 -0.590429D+00 -0.404758D+00
      2  -0.560943D+00  0.162519D+01  0.887017D+01 -0.288913D+01 -0.122659D+01
      3   0.486552D+00 -0.590429D+00 -0.288913D+01  0.196288D+01  0.101344D+01
               296           297           298           299           300 
      1  -0.122659D+01  0.101344D+01 -0.747821D+00  0.170377D+01  0.376825D+00
      2  -0.483631D+01  0.314732D+01  0.170377D+01 -0.101478D+01 -0.450357D+00
      3   0.314732D+01 -0.261335D+01  0.376825D+00 -0.450357D+00 -0.399441D+00
               301           302           303           304           305 
      1   0.138490D+01 -0.136493D+01 -0.477439D+00  0.306544D+00 -0.102522D+01
      2  -0.136493D+01  0.905316D+01  0.293474D+01 -0.102522D+01  0.496406D+01
      3  -0.477439D+00  0.293474D+01  0.197734D+01 -0.871811D+00  0.319605D+01
               306           307           308           309           310 
      1  -0.871811D+00 -0.404115D+01  0.120859D+01 -0.164982D+01  0.617835D+00
      2   0.319605D+01  0.120859D+01 -0.216414D+01  0.464209D+00 -0.126733D+01
      3   0.261227D+01 -0.164982D+01  0.464209D+00 -0.145910D+01  0.175880D+00
               311           312           313           314           315 
      1  -0.126733D+01  0.175880D+00 -0.261047D+01  0.537748D+00 -0.176436D+01
      2   0.118495D+01 -0.394346D+00  0.537748D+00 -0.944851D+00  0.106028D+01
      3  -0.394346D+00  0.338604D+00 -0.176436D+01  0.106028D+01 -0.228103D+01
               316           317           318           319           320 
      1  -0.510130D+01  0.764282D+00  0.242510D+01  0.213011D+00 -0.161164D+00
      2   0.764282D+00 -0.238158D+01 -0.675106D+00 -0.161164D+00 -0.114513D+01
      3   0.242510D+01 -0.675106D+00 -0.189679D+01  0.321559D+00 -0.765850D+00
               321           322           323           324           325 
      1   0.321559D+00  0.170678D+01  0.164519D+00 -0.111608D+01  0.428630D+00
      2  -0.765850D+00  0.164519D+00 -0.675753D+00 -0.327280D-01 -0.439362D+00
      3  -0.315187D+00 -0.111608D+01 -0.327280D-01  0.174911D+01  0.776819D+00
               326           327           328           329           330 
      1  -0.439362D+00  0.776819D+00  0.137010D+00  0.972702D+00  0.449485D+00
      2   0.241923D+01  0.109020D+01  0.972702D+00 -0.498922D+00  0.417305D-01
      3   0.109020D+01  0.195904D+01  0.449485D+00  0.417305D-01  0.361806D+00
               331           332           333 
      1   0.990951D+00  0.923235D-02  0.601657D+00
      2   0.923235D-02  0.136791D+01  0.115926D+01
      3   0.601657D+00  0.115926D+01  0.550872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383904D+00  0.246514D+01 -0.266673D+01  0.376920D+01  0.566362D+01
      2   0.751972D+00 -0.109610D+01  0.917312D+01 -0.187525D+01 -0.123733D+02
      3  -0.408383D+01 -0.106657D+02 -0.157964D+01 -0.740205D+01  0.532611D+01
                 6             7             8             9            10 
      1  -0.186515D+01 -0.937381D+00  0.620432D-01 -0.198330D+01 -0.482599D+01
      2  -0.404161D+01  0.272838D+01 -0.174567D+00  0.164291D+01  0.109240D+02
      3   0.858097D+01 -0.310443D+00  0.944887D+01  0.431042D+01  0.542011D+01
                11            12            13            14            15 
      1   0.415530D+01  0.103837D+00  0.394889D+01 -0.113471D+01 -0.745374D+01
      2  -0.266920D+01  0.356539D+01 -0.422711D+01  0.987537D-01  0.602186D+01
      3   0.789020D+01  0.674599D+01  0.105663D+02 -0.572078D+01 -0.576753D+01
                16            17            18            19            20 
      1  -0.120439D+01 -0.184302D+01  0.359215D+00 -0.111416D+01 -0.446927D+00
      2   0.127727D+01  0.216737D+01 -0.210075D+01 -0.181756D+02 -0.126945D+02
      3   0.799721D+01 -0.569540D+01 -0.408451D+01 -0.226580D+02 -0.201307D+02
                21            22            23            24            25 
      1   0.781942D+01  0.924800D+01  0.260494D+02 -0.600716D+01  0.174698D+02
      2   0.416452D+01 -0.448451D+01  0.297639D+01 -0.494350D+01 -0.127374D+02
      3   0.975891D+01  0.599484D+01  0.235267D+02 -0.761872D+01  0.509645D+01
                26            27            28            29            30 
      1   0.218965D+02 -0.250071D+02 -0.219330D-01 -0.328871D+01  0.587822D-01
      2  -0.128899D+02  0.131539D+02 -0.334966D+01  0.174696D+00 -0.105221D+02
      3  -0.542555D+00 -0.139279D+01 -0.167446D+00  0.149032D+02 -0.840810D-01
                31            32            33            34            35 
      1  -0.145163D+01  0.973496D-01  0.119751D+02  0.291705D-01 -0.172104D+02
      2   0.683252D-01  0.555581D+00 -0.154654D-01  0.190624D+02  0.104580D-01
      3  -0.184142D+02  0.242332D-01  0.966810D+00 -0.825907D-01  0.778824D+00
                36            37            38            39            40 
      1   0.957096D-01  0.613751D+00 -0.990825D+00 -0.780556D+01  0.829889D+01
      2  -0.150583D+00 -0.175178D+02  0.136186D+02  0.472549D+01  0.509483D+01
      3  -0.409950D-01  0.220359D+02 -0.221020D+02 -0.100396D+02  0.390762D+01
                41            42            43            44            45 
      1  -0.262497D+02 -0.539121D+01 -0.169639D+02  0.232627D+02  0.255391D+02
      2   0.323513D+01  0.496207D+01 -0.114086D+02  0.124080D+02  0.120223D+02
      3  -0.227134D+02 -0.711426D+01 -0.510871D+01 -0.277091D+00  0.136956D+01
                46            47            48            49            50 
      1   0.568045D+01  0.398044D+01 -0.268254D+00  0.391622D+01  0.768934D+00
      2   0.110452D+02  0.190595D+01  0.333637D+01  0.354837D+01 -0.188109D+00
      3  -0.464625D+01  0.823454D+01 -0.691190D+01  0.110074D+02  0.486944D+01
                51            52            53            54            55 
      1  -0.769592D+01  0.119846D+01 -0.203765D+01 -0.432316D+00 -0.106052D+00
      2  -0.581326D+01  0.117400D+01 -0.222083D+01 -0.203240D+01  0.878222D+00
      3  -0.547293D+01 -0.824329D+01 -0.531252D+01  0.415197D+01  0.338052D+01
                56            57            58            59            60 
      1   0.225094D+01  0.298391D+01  0.362463D+01 -0.650884D+01 -0.182582D+01
      2   0.517862D+00  0.918992D+01  0.122079D+01 -0.122427D+02  0.370556D+01
      3  -0.109425D+02  0.187166D+01 -0.782948D+01 -0.438668D+01  0.848331D+01
                61            62            63            64            65 
      1   0.105961D+01  0.252017D-01  0.202560D+01 -0.413187D+01 -0.108910D+02
      2   0.272022D+01  0.353587D-01  0.154392D+01  0.260220D+02 -0.173689D+01
      3   0.711524D+00  0.937960D+01 -0.430204D+01  0.614509D+01  0.102503D+02
                66            67            68            69            70 
      1  -0.291782D+01 -0.226818D+02  0.371324D+01 -0.107869D+02 -0.109031D+01
      2   0.231340D+01  0.433584D+01  0.480756D+01  0.463543D+01 -0.322514D+02
      3   0.184516D+01  0.354749D+02 -0.428718D+01  0.124925D+02 -0.238111D+01
                71            72            73            74            75 
      1   0.113786D+01  0.928198D+00  0.367769D+01 -0.111586D+02  0.248024D+01
      2   0.383091D+01 -0.288790D+02  0.258342D+02  0.131144D+01  0.199965D+01
      3   0.545300D+01 -0.102404D+01 -0.397844D+01  0.107173D+02 -0.123570D+01
                76            77            78            79            80 
      1  -0.231545D+02 -0.202363D+01 -0.111006D+02 -0.280222D+00  0.966297D+00
      2  -0.421909D+01  0.506861D+01 -0.423704D+01 -0.323247D+02 -0.249542D+01
      3   0.358237D+02  0.228117D+01  0.125339D+02  0.264105D+01  0.533985D+01
                81            82            83            84            85 
      1  -0.218661D+01 -0.319389D+01  0.423539D+01  0.199554D+01  0.625969D+01
      2  -0.287975D+02 -0.176309D+02 -0.176720D+02  0.142753D+02 -0.592956D+01
      3   0.105214D+01 -0.219465D+02 -0.255017D+02  0.157872D+02 -0.292922D-01
                86            87            88            89            90 
      1   0.215606D+02 -0.817648D-03  0.108422D+02  0.271075D+02 -0.168595D+02
      2   0.197772D+01 -0.583973D+01 -0.483871D+01 -0.180247D+02  0.142905D+02
      3   0.187616D+02 -0.475787D+01  0.709513D+01 -0.381153D+01  0.413357D+01
                91            92            93            94            95 
      1   0.914680D+01  0.338960D+01  0.601191D+01  0.426355D+01 -0.115503D+02
      2  -0.221670D+01  0.810514D+00  0.176892D-01 -0.221955D+00  0.217690D+01
      3  -0.537646D+01 -0.144526D+01 -0.733289D+01  0.367420D+01 -0.675731D+00
                96            97            98            99           100 
      1  -0.435729D+01  0.439202D+01 -0.335479D+01  0.287902D+01  0.162313D+01
      2  -0.437768D+00 -0.330799D+01  0.443835D+00 -0.564693D+00 -0.285833D+01
      3  -0.675955D+01 -0.117153D+02 -0.766657D+01 -0.518719D+01 -0.920570D+01
               101           102           103           104           105 
      1   0.175153D+01  0.306839D+01 -0.254101D+00  0.117649D+01 -0.104850D+01
      2   0.142358D+01  0.476053D+01 -0.202001D+01  0.184109D+01 -0.147415D+01
      3  -0.360407D+01 -0.365583D+01 -0.861053D+00 -0.495266D+00 -0.173681D+01
               106           107           108           109           110 
      1   0.212662D+01  0.107054D+01  0.139801D+01  0.133019D+01 -0.139023D+01
      2   0.214707D+01 -0.495682D+00  0.253490D+01  0.517284D+01  0.223216D+01
      3  -0.148070D+01 -0.269901D+01 -0.116001D+01  0.545189D+01  0.557369D+01
               111           112           113           114           115 
      1  -0.188328D+01 -0.180214D+00 -0.143688D+01 -0.293752D+01 -0.312228D+00
      2  -0.345048D+01  0.126655D+01  0.658380D+01 -0.625694D+01 -0.309662D+01
      3  -0.346528D+01  0.444014D+01  0.131514D+02 -0.652562D+01 -0.169537D+01
               116           117           118           119           120 
      1  -0.540096D-01  0.218122D+01 -0.715268D+00 -0.190053D+00  0.197852D+01
      2  -0.503555D+01  0.600809D+01 -0.122864D+01  0.846602D+00  0.360049D+01
      3  -0.531282D+01  0.573082D+01  0.640901D+00 -0.385530D+01 -0.145419D+00
               121           122           123           124           125 
      1  -0.238522D+01  0.264126D+01 -0.247034D+01  0.111616D+01 -0.329647D+00
      2  -0.242553D+01 -0.102586D+01 -0.374318D+01  0.751900D+00 -0.276895D+01
      3  -0.106165D+01  0.968295D+01  0.393816D+01  0.150219D+01  0.258954D+01
               126           127           128           129           130 
      1  -0.135859D+01 -0.420675D+01 -0.169164D+01  0.261052D+01 -0.284425D+01
      2  -0.209629D+01 -0.190959D+01  0.245566D+00  0.347444D+01  0.785156D+00
      3   0.118616D+01 -0.756254D+01 -0.622215D+01  0.414300D+01 -0.699955D+01
               131           132           133           134           135 
      1  -0.568132D+01  0.370375D+01  0.267472D+01  0.440879D+01 -0.423383D+01
      2  -0.331467D+01  0.541881D+01  0.138503D+01  0.274676D+01 -0.491984D+01
      3  -0.111467D+02  0.603468D+01  0.389567D+01  0.440664D+01 -0.578101D+01
               136           137           138           139           140 
      1   0.525654D+00 -0.400563D+00 -0.191720D+01 -0.242426D+01 -0.254793D+01
      2  -0.115026D+01 -0.793667D+00  0.383282D+01  0.253387D+01 -0.995858D+00
      3  -0.835277D+00 -0.425211D+01  0.296241D+00 -0.147449D+01 -0.943133D+01
               141           142           143           144           145 
      1  -0.221491D+01 -0.112230D+01 -0.186727D+00  0.126253D+01  0.391429D+01
      2   0.367942D+01  0.959393D+00  0.279312D+01 -0.215596D+01 -0.209049D+01
      3   0.394684D+01 -0.137344D+01  0.270816D+01 -0.120209D+01  0.696929D+01
               146           147           148           149           150 
      1  -0.166632D+01 -0.232879D+01 -0.280100D+01  0.578180D+01  0.357037D+01
      2  -0.178625D+00  0.338959D+01 -0.731110D+00 -0.353963D+01 -0.574438D+01
      3  -0.611934D+01 -0.391859D+01 -0.685568D+01  0.117706D+02  0.621604D+01
               151           152           153           154           155 
      1  -0.241571D+01  0.440114D+01  0.399721D+01 -0.167628D+01  0.171833D+01
      2   0.138210D+01 -0.300316D+01 -0.503392D+01 -0.277160D+01 -0.131733D+01
      3  -0.368983D+01  0.457489D+01  0.577477D+01  0.902042D+01 -0.394828D+01
               156           157           158           159           160 
      1  -0.290900D+01 -0.934634D-01 -0.111532D+01 -0.852860D+00 -0.201640D+01
      2   0.496144D+01  0.215929D+01  0.181859D+01  0.130723D+01  0.231190D+01
      3   0.360093D+01 -0.130014D+01  0.624838D+00 -0.190376D+01  0.139806D+01
               161           162           163           164           165 
      1   0.116714D+01 -0.128894D+01 -0.115607D+01 -0.137330D+01  0.163406D+01
      2   0.378176D+00  0.259650D+01  0.504378D+01 -0.217389D+01 -0.329672D+01
      3  -0.275332D+01  0.116712D+01 -0.500667D+01  0.533476D+01  0.323631D+01
               166           167           168           169           170 
      1  -0.114926D+00  0.177581D+01 -0.275099D+01  0.199853D+00  0.166556D+00
      2  -0.123793D+01  0.668802D+01  0.653365D+01 -0.291215D+01  0.517831D+01
      3   0.416663D+01 -0.136213D+02 -0.669502D+01  0.148031D+01 -0.541935D+01
               171           172           173           174           175 
      1  -0.189931D+01 -0.169412D+01  0.250627D+01 -0.136942D+00  0.490923D+01
      2   0.608893D+01 -0.905731D+00  0.163262D+01  0.220508D+01  0.602991D+01
      3  -0.576197D+01  0.233357D+01 -0.430903D+01  0.230871D+00 -0.487372D+01
               176           177           178           179           180 
      1  -0.691320D+01  0.570586D+00  0.226836D+01 -0.588778D+00 -0.629483D-01
      2  -0.158262D+01  0.623065D+00  0.402575D+01 -0.128282D+01  0.939610D+00
      3   0.978991D+01 -0.186233D+01 -0.187483D+01  0.212965D+01  0.516683D-01
               181           182           183           184           185 
      1  -0.210889D+01 -0.103666D+01 -0.110602D+01 -0.343460D+00 -0.517027D+00
      2  -0.215518D+01  0.396991D+00 -0.455500D+01 -0.806883D+00  0.207496D+01
      3   0.159369D+01  0.349037D-01  0.655227D+00  0.116613D+01  0.390699D+00
               186           187           188           189           190 
      1   0.613612D+00  0.793728D+00  0.252617D+01 -0.690096D+00  0.128164D+01
      2  -0.407045D+00  0.673134D+00 -0.203540D+01  0.153272D+02 -0.250465D+01
      3  -0.158057D+01 -0.100906D+01 -0.219300D+01  0.164911D+01 -0.243614D+01
               191           192           193           194           195 
      1   0.585096D+01 -0.159639D+01  0.120045D+01 -0.678683D+01 -0.109170D+01
      2   0.221920D+01  0.816942D-01  0.272482D+01 -0.322629D+01  0.140443D+01
      3   0.582646D+01 -0.223307D+01  0.562346D+01 -0.873759D+01  0.145886D+01
               196           197           198           199           200 
      1  -0.940166D+00 -0.414576D+01  0.233084D+00 -0.368474D+00 -0.244746D+01
      2  -0.539081D+00  0.401566D+00 -0.483771D+00 -0.146217D+01  0.780132D+00
      3   0.217507D+00 -0.235568D+01 -0.257167D+00 -0.120484D+01 -0.151457D+01
               201           202           203           204           205 
      1   0.192326D+01 -0.218522D+01 -0.131100D+01  0.385913D+01 -0.484735D+00
      2  -0.125564D+01 -0.228577D+00 -0.424007D+00 -0.103380D+01 -0.262396D+01
      3  -0.939294D+00 -0.289077D+00 -0.892131D+00  0.148989D+01 -0.241239D+01
               206           207           208           209           210 
      1  -0.108574D+01  0.124726D+02 -0.106887D+01  0.603751D+01  0.150821D+01
      2   0.140003D+01 -0.888318D+01 -0.247861D+01 -0.246639D+01 -0.303956D-01
      3   0.207834D+00 -0.135761D+01  0.273113D+01  0.601949D+01  0.225643D+01
               211           212           213           214           215 
      1   0.143495D+01  0.630766D+01 -0.124663D+01  0.723090D+00 -0.421066D+01
      2  -0.278600D+01 -0.327210D+01 -0.134365D+01 -0.571353D+00 -0.186723D+00
      3   0.586505D+01  0.821518D+01  0.133571D+01 -0.350003D+00 -0.234928D+01
               216           217           218           219           220 
      1  -0.259061D+00  0.985465D-01 -0.242863D+01 -0.180345D+01 -0.210808D+01
      2  -0.467949D+00 -0.148987D+01 -0.631127D+00 -0.113804D+01  0.366857D+00
      3   0.263064D+00  0.112085D+01 -0.150994D+01  0.101601D+01 -0.276221D+00
               221           222           223           224           225 
      1   0.147370D+01  0.395728D+01  0.323000D+00 -0.118595D+01 -0.128434D+02
      2  -0.468847D+00  0.898867D+00 -0.270095D+01 -0.124448D+01 -0.832451D+01
      3   0.941187D+00  0.143550D+01  0.242817D+01  0.104519D+00  0.136797D+01
               226           227           228           229           230 
      1   0.197758D+01  0.260462D+01  0.262748D+00  0.480439D+01  0.667740D+01
      2  -0.130227D+01 -0.177159D+01  0.216922D+01 -0.622041D+01 -0.155584D+01
      3  -0.275944D+01 -0.456792D+01 -0.321460D+00 -0.511427D+01 -0.958026D+01
               231           232           233           234           235 
      1   0.472264D+00 -0.209990D+01 -0.468829D+00  0.118954D+00  0.197584D+01
      2  -0.741347D+00  0.416046D+01  0.112308D+01  0.931679D+00 -0.223760D+01
      3  -0.177917D+01  0.195013D+01  0.207964D+01 -0.662326D-01 -0.157272D+01
               236           237           238           239           240 
      1  -0.110936D+01  0.934571D+00 -0.366585D+00  0.664739D+00  0.595300D+00
      2  -0.178307D+00 -0.458490D+01  0.995500D+00  0.202634D+01  0.576954D+00
      3   0.927095D-01 -0.735413D+00  0.120912D+01 -0.450019D+00 -0.155017D+01
               241           242           243           244           245 
      1  -0.655814D+00  0.263816D+01  0.135074D+01 -0.886764D+01  0.435757D+01
      2   0.790754D+00  0.189750D+01  0.152737D+02 -0.185442D+01 -0.758752D+00
      3   0.915609D+00 -0.223257D+01 -0.164707D+01  0.549811D+01 -0.166394D+01
               246           247           248           249           250 
      1  -0.621835D+01  0.518542D+01  0.111300D+02 -0.413491D+01 -0.468741D+01
      2   0.309914D+00  0.186556D+00  0.170064D+01  0.584443D+00 -0.313209D+01
      3   0.700086D+01  0.354069D+01  0.634769D+00 -0.708580D+01  0.113630D+02
               251           252           253           254           255 
      1  -0.316456D+01 -0.296483D+01  0.288708D+01  0.392081D+01 -0.134751D+01
      2  -0.155337D+00 -0.460823D+00 -0.166387D+02  0.182978D+02  0.145482D+02
      3  -0.823613D+01  0.518270D+01  0.206774D+02 -0.272440D+02 -0.159547D+02
               256           257           258           259           260 
      1   0.543047D+01 -0.219074D+02  0.305259D+00 -0.977790D+01  0.282538D+02
      2   0.650015D+01  0.191365D+01  0.521147D+01 -0.357836D+01  0.169375D+02
      3  -0.178159D+01 -0.176479D+02 -0.406538D+01 -0.725236D+01 -0.353206D+01
               261           262           263           264           265 
      1   0.174364D+02  0.506236D+01 -0.243510D+01 -0.386510D+01 -0.183539D+01
      2   0.134753D+02  0.708214D+01  0.959503D+00 -0.154313D+01 -0.291884D+01
      3  -0.410459D+01  0.121498D+02 -0.193992D+01 -0.553270D+01 -0.397200D+01
               266           267           268           269           270 
      1   0.211917D+01  0.144789D+00 -0.302832D+01  0.162782D+01  0.246766D+01
      2  -0.188103D+01  0.114987D+01 -0.523617D+00  0.294250D+00  0.554619D+00
      3   0.338785D+00  0.245554D+01 -0.199438D+01  0.434128D+00  0.290980D+01
               271           272           273           274           275 
      1   0.593065D+00 -0.533078D+00  0.430303D+01 -0.994373D+00 -0.401364D+00
      2  -0.610779D+00  0.440779D+01 -0.538597D+01  0.195555D+01  0.190277D+01
      3  -0.765093D-01  0.328465D+01 -0.354691D+01  0.242961D+01  0.182586D+01
               276           277           278           279           280 
      1   0.368366D-01  0.746974D+00  0.333780D+00  0.887752D+01 -0.679100D+01
      2  -0.889867D+00 -0.248974D+01  0.207188D+01 -0.763816D+01  0.256979D+01
      3  -0.288298D+00 -0.117124D+01  0.203581D+01 -0.229906D+01  0.138926D+02
               281           282           283           284           285 
      1  -0.120699D+01 -0.537210D+01 -0.418836D+00 -0.129408D+01 -0.911645D+00
      2   0.546219D+00  0.349136D+01  0.133834D+00  0.731865D+00  0.114120D-01
      3  -0.896099D+00  0.599221D+01 -0.109041D+00  0.451953D+01 -0.409776D+00
               286           287           288           289           290 
      1  -0.646255D+01 -0.110488D+01 -0.897705D+01  0.276187D-01  0.146674D+00
      2   0.138544D+01  0.139330D+01  0.341140D+01  0.240507D+00  0.456689D+00
      3   0.957855D+01 -0.526077D+00  0.513674D+01  0.174524D+01  0.353842D+01
               291           292           293           294           295 
      1  -0.158166D+01  0.194578D+01  0.456765D+01 -0.705580D+01 -0.150671D+01
      2   0.730149D+00  0.226960D+00 -0.166487D+01  0.162098D+01 -0.810120D+00
      3  -0.100042D+01  0.512287D+01 -0.225012D+01 -0.840349D-02 -0.841389D+00
               296           297           298           299           300 
      1  -0.234391D+01  0.698246D+01  0.188011D-01 -0.927797D-01  0.129837D+01
      2   0.158898D+01 -0.179888D+01  0.206305D+00 -0.548840D+00  0.587456D+00
      3   0.349607D+01  0.239894D+00 -0.137206D+01  0.372066D+01  0.104726D+01
               301           302           303           304           305 
      1   0.171628D+01 -0.469311D+01 -0.714945D+01  0.135720D+01 -0.245584D+01
      2  -0.385055D+00 -0.141672D+01 -0.133018D+01 -0.945925D+00 -0.144807D+01
      3   0.527111D+01  0.187388D+01 -0.422321D-01  0.100717D+01  0.350162D+01
               306           307           308           309           310 
      1  -0.703799D+01  0.681318D+01 -0.158782D+01  0.548301D+01 -0.731917D+00
      2  -0.148746D+01  0.223390D+01 -0.581417D+00  0.326343D+01 -0.178298D+00
      3  -0.225822D+00 -0.139242D+02 -0.362212D+00 -0.597983D+01  0.403885D+00
               311           312           313           314           315 
      1   0.129195D+01 -0.117569D+01  0.645373D+01 -0.152494D+01  0.912665D+01
      2   0.695183D+00 -0.963782D-01  0.104312D+01 -0.138763D+01  0.302442D+01
      3  -0.439546D+01 -0.746013D-01 -0.957142D+01  0.178393D-02 -0.513173D+01
               316           317           318           319           320 
      1  -0.488624D+01 -0.232421D+01  0.377777D+01 -0.153212D+01 -0.196182D+01
      2   0.735558D+01 -0.126109D+01 -0.174129D+01  0.256519D+01 -0.185818D+01
      3  -0.122998D+02 -0.134023D+01  0.560440D+01 -0.332896D+01 -0.263586D-01
               321           322           323           324           325 
      1  -0.102192D+00  0.305943D+01  0.145334D+01 -0.244919D+01 -0.698059D+00
      2  -0.105028D+01 -0.693113D+00 -0.296304D+00  0.676594D+00 -0.837966D+00
      3   0.215334D+01  0.201689D+01  0.282302D+00 -0.293819D+01  0.310445D+00
               326           327           328           329           330 
      1  -0.680877D+00 -0.451193D+01 -0.103763D+01  0.573449D+00  0.291179D+00
      2  -0.425385D+01 -0.513066D+01 -0.180226D+01  0.215708D+01  0.109405D+01
      3   0.319695D+01  0.352342D+01  0.234020D+01 -0.209497D+01 -0.437781D+00
               331           332           333 
      1  -0.851896D+00  0.309557D+00 -0.919721D+01
      2  -0.254792D+01 -0.195046D+01 -0.720630D+01
      3   0.126316D+01  0.196222D+01  0.228660D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412049D+02 -0.707997D+01 -0.233575D+02 -0.258535D+01  0.185455D+02
      2   0.266159D+02  0.901617D+01  0.134093D+02  0.558288D+01 -0.103103D+02
      3   0.145890D+02 -0.193620D+01  0.994824D+01 -0.299753D+01 -0.823526D+01
      4  -0.148012D+02  0.920654D+01 -0.718795D+01  0.110098D+02  0.450429D+01
      5  -0.262089D+02 -0.123556D+01 -0.593193D+01  0.422737D+01 -0.844372D+01
      6  -0.696125D+01  0.596666D+01  0.408306D+00  0.413604D+01 -0.100180D+02
                 6             7             8             9            10 
      1   0.842696D+01 -0.198724D+02  0.591685D+01 -0.615964D+00  0.937744D+01
      2  -0.102863D+02  0.117870D+02 -0.785083D+01 -0.336362D+01 -0.647337D+01
      3   0.185938D+01  0.808545D+01  0.193399D+01  0.397959D+01 -0.290407D+01
      4  -0.800028D+01 -0.477901D+01 -0.657167D+01 -0.423531D+01 -0.289897D+00
      5  -0.475613D+01 -0.697116D+01 -0.386592D+01  0.410654D+01  0.109750D+02
      6  -0.100768D+02  0.173821D+00 -0.761165D+01  0.520526D+00  0.758055D+01
                11            12            13            14            15 
      1   0.336923D+01  0.129717D+02  0.239618D+01 -0.160792D+02 -0.370399D+01
      2  -0.117670D+02 -0.530471D+01 -0.125181D+02  0.356192D+01  0.106523D+02
      3   0.839775D+01 -0.766700D+01  0.101219D+02  0.125173D+02 -0.694832D+01
      4  -0.218462D+02  0.601520D+01 -0.270469D+02 -0.232135D+02  0.185645D+02
      5  -0.529353D+00 -0.950492D+01  0.126187D+01  0.214535D+02  0.376311D+01
      6   0.473306D+01 -0.109844D+01  0.103283D+02  0.123479D+02 -0.384524D+01
                16            17            18            19            20 
      1   0.954698D+01 -0.425927D+01 -0.542516D+01  0.609386D+00  0.200504D+01
      2  -0.319583D+01  0.974824D+01  0.244862D+01 -0.436289D+01  0.284407D+01
      3  -0.635116D+01 -0.548897D+01  0.297654D+01  0.375350D+01 -0.484911D+01
      4   0.556951D+01  0.150742D+02  0.614019D+00  0.581247D+01  0.141789D+02
      5  -0.807271D+01  0.229130D+01 -0.363809D+01 -0.353891D+01 -0.242545D+01
      6  -0.195295D+01 -0.455814D+01 -0.354039D+01 -0.786343D+01 -0.665536D+01
                21            22            23            24            25 
      1  -0.645673D+01 -0.124471D+01  0.134571D+02 -0.340591D+00 -0.146449D+01
      2   0.441902D+01  0.392523D+01 -0.161190D+02  0.238785D+01  0.193716D+01
      3   0.203771D+01 -0.268052D+01  0.266194D+01 -0.204726D+01 -0.472669D+00
      4  -0.864471D+01  0.937452D+01  0.863400D+01 -0.542032D+01 -0.524455D+01
      5   0.628349D+01 -0.110273D+01 -0.707577D+01  0.276250D+01  0.543937D+01
      6   0.259301D+01 -0.706924D+01 -0.124145D+01  0.657190D+01  0.105580D+01
                26            27            28            29            30 
      1  -0.151353D+01  0.935170D+01 -0.124916D+02  0.886184D-01  0.526293D+01
      2   0.153545D+01  0.394966D+01  0.367334D+01 -0.686883D-01 -0.631798D+01
      3  -0.219104D-01 -0.133014D+02  0.881828D+01 -0.199302D-01  0.105504D+01
      4  -0.272147D+01  0.160040D+01  0.952995D-01 -0.734706D+01 -0.389392D+00
      5   0.398746D+00  0.503397D+01  0.336240D+01 -0.252112D+00 -0.427150D+01
      6   0.439512D+01  0.480940D+01 -0.237065D+00 -0.362843D+01 -0.720392D-03
                31            32            33            34            35 
      1   0.187961D-01  0.403398D+01 -0.414331D+00  0.800304D+01 -0.559139D+00
      2   0.451745D-02 -0.118300D+02  0.446350D+00 -0.886292D+01  0.568494D+00
      3  -0.233136D-01  0.779601D+01 -0.320188D-01  0.859881D+00 -0.935505D-02
      4  -0.873442D+01 -0.140124D-01 -0.678186D+01 -0.544355D+00 -0.896653D+01
      5  -0.213483D+00 -0.411045D+01 -0.597334D-02  0.306735D+01 -0.732295D-02
      6  -0.372961D+01  0.275699D+00 -0.441545D+01 -0.190678D-02  0.218352D+01
                36            37            38            39            40 
      1   0.109130D+01  0.215748D+00 -0.232720D+00 -0.565775D+01  0.263025D+01
      2   0.115750D+01 -0.428695D+01 -0.452345D+01  0.357315D+01 -0.522140D+01
      3  -0.224880D+01  0.407120D+01  0.475617D+01  0.208460D+01  0.259115D+01
      4   0.117777D-01 -0.487196D+01  0.138517D+02  0.880493D+01  0.880592D+01
      5   0.910563D+00 -0.297809D+01  0.193504D+01  0.605215D+01  0.593574D+00
      6  -0.135439D-01  0.737416D+01 -0.696852D+01 -0.257222D+01 -0.731596D+01
                41            42            43            44            45 
      1   0.125065D+02  0.105007D+00 -0.946875D+00  0.132132D+01  0.921848D+01
      2  -0.148685D+02 -0.201938D+01  0.142141D+01 -0.130567D+01  0.407561D+01
      3   0.236196D+01  0.191437D+01 -0.474530D+00 -0.156449D-01 -0.132941D+02
      4  -0.108100D+02 -0.587917D+01  0.528533D+01 -0.308664D+01 -0.181504D+01
      5  -0.710594D+01 -0.270604D+01  0.540052D+01 -0.421482D+00  0.480863D+01
      6   0.217936D+01  0.679417D+01 -0.109233D+01  0.444937D+01 -0.505854D+01
                46            47            48            49            50 
      1   0.891152D+01 -0.621765D+01  0.126238D+02 -0.560220D+01 -0.134953D+02
      2  -0.517316D+01  0.137897D+02 -0.526006D+01  0.150442D+02  0.238399D+00
      3  -0.373836D+01 -0.757208D+01 -0.736374D+01 -0.944200D+01  0.132569D+02
      4  -0.251509D+01 -0.197204D+02 -0.605884D+01 -0.250955D+02  0.259036D+02
      5   0.106647D+02  0.112676D+01 -0.960817D+01 -0.413136D+00  0.208380D+02
      6  -0.739109D+01  0.441027D+01  0.137075D+01  0.101042D+02 -0.138731D+02
                51            52            53            54            55 
      1   0.470081D+01  0.935322D+01  0.506090D+01 -0.551842D+01 -0.390220D+02
      2  -0.119846D+02 -0.319519D+01 -0.108579D+02  0.257079D+01  0.243621D+02
      3   0.728374D+01 -0.615803D+01  0.579696D+01  0.294763D+01  0.146599D+02
      4   0.181160D+02 -0.556104D+01  0.146755D+02 -0.329602D+00  0.183405D+02
      5  -0.350143D+01 -0.815142D+01 -0.219776D+01 -0.338407D+01 -0.258247D+02
      6  -0.373989D+01  0.212022D+01 -0.450462D+01  0.369703D+01  0.844935D+01
                56            57            58            59            60 
      1   0.100854D+02 -0.228653D+02  0.579675D+01  0.175539D+02 -0.809704D+01
      2  -0.110448D+02  0.130499D+02 -0.791772D+01 -0.907421D+01  0.103822D+02
      3   0.959382D+00  0.981534D+01  0.212097D+01 -0.847968D+01 -0.228513D+01
      4   0.734390D+01  0.842706D+01  0.969906D+01 -0.660467D+01 -0.754161D+01
      5   0.228126D+01 -0.574710D+01 -0.328436D+01 -0.792950D+01  0.458149D+01
      6   0.584466D+01 -0.521070D+00  0.440036D+01  0.990177D+01 -0.102745D+02
                61            62            63            64            65 
      1  -0.195931D+02 -0.556186D+01 -0.170348D+00  0.114672D+02 -0.597605D+01
      2   0.115963D+02  0.786048D+01 -0.375616D+01 -0.107932D+02  0.574661D+01
      3   0.799681D+01 -0.229862D+01  0.392650D+01 -0.673944D+00  0.229436D+00
      4   0.588584D+01 -0.623226D+01  0.406695D+01 -0.183552D+02 -0.497454D+01
      5  -0.674128D+01  0.383437D+01  0.406260D+01  0.117206D+02 -0.498436D+01
      6  -0.217954D+00 -0.776735D+01 -0.690875D+00 -0.316752D+01 -0.455704D+01
                66            67            68            69            70 
      1   0.639855D+01 -0.101989D+02 -0.966051D+01 -0.302402D+01  0.404831D+01
      2  -0.704365D+01  0.753528D+01  0.248707D+01  0.134609D+01 -0.385357D+01
      3   0.645101D+00  0.266360D+01  0.717343D+01  0.167793D+01 -0.194737D+00
      4  -0.818360D+01 -0.119810D+00 -0.349570D+01  0.619991D+01 -0.469402D+01
      5   0.927559D+01 -0.534001D+01  0.187488D+01 -0.179291D+01  0.559652D+01
      6  -0.152414D+01 -0.276250D+01 -0.203469D+01  0.439275D+01 -0.922322D+00
                71            72            73            74            75 
      1  -0.153392D+01  0.759873D+01  0.136187D+02  0.456492D+01  0.724533D+01
      2   0.293529D+01  0.649732D+01 -0.128502D+02 -0.466921D+01 -0.777976D+01
      3  -0.140137D+01 -0.140960D+02 -0.768546D+00  0.104285D+00  0.534429D+00
      4   0.231646D+01 -0.423960D+01  0.170612D+02 -0.605384D+01  0.784678D+01
      5  -0.167487D+01 -0.678927D+01  0.122875D+02  0.436965D+01  0.939183D+01
      6   0.429721D+01  0.670898D+00  0.235752D+01 -0.477788D+01  0.131690D+01
                76            77            78            79            80 
      1   0.925247D+01 -0.999320D+01  0.326299D+01  0.459084D+01  0.155112D+01
      2  -0.689089D+01  0.272123D+01 -0.153530D+01 -0.443161D+01 -0.295688D+01
      3  -0.236158D+01  0.727196D+01 -0.172769D+01 -0.159229D+00  0.140576D+01
      4  -0.145864D+01  0.432940D+01  0.565868D+01  0.443141D+01  0.192277D+01
      5   0.480479D+01  0.154523D+01  0.158667D+01  0.576119D+01  0.165029D+01
      6  -0.299365D+01  0.231605D+01  0.426179D+01  0.880523D+00  0.417905D+01
                81            82            83            84            85 
      1   0.801339D+01 -0.578556D+01 -0.313853D+01  0.101504D+02 -0.551773D+01
      2   0.611774D+01  0.875440D+01  0.310395D+01 -0.323122D+01  0.904363D+01
      3  -0.141311D+02 -0.296884D+01  0.345832D-01 -0.691915D+01 -0.352590D+01
      4   0.419944D+01 -0.597853D+01  0.265126D+01  0.514456D+01  0.309789D+01
      5  -0.681672D+01  0.881594D+01 -0.163511D+01 -0.107415D+01 -0.146998D+01
      6  -0.382389D+00  0.524214D+01 -0.471963D+01  0.501669D+01 -0.336315D+01
                86            87            88            89            90 
      1  -0.172531D+02  0.903307D+01  0.728937D+01  0.540768D+01  0.244118D+01
      2   0.171259D+02 -0.162391D+02 -0.592769D+00 -0.906840D+01  0.421146D+01
      3   0.127138D+00  0.720598D+01 -0.669660D+01  0.366072D+01 -0.665264D+01
      4   0.459061D+01 -0.356983D+01  0.635127D+01 -0.307390D+01  0.301801D+01
      5  -0.749822D+01  0.193371D+01 -0.583965D-01  0.805590D+00 -0.214474D+01
      6  -0.129430D+02  0.641180D+01  0.394562D+01  0.288972D+01  0.582919D+01
                91            92            93            94            95 
      1  -0.210320D+01  0.312125D+01 -0.686999D+01  0.565322D+01  0.149586D+02
      2  -0.150371D+00 -0.529313D+01  0.453569D+01 -0.107357D+02 -0.201699D+02
      3   0.225357D+01  0.217187D+01  0.233430D+01  0.508251D+01  0.521128D+01
      4  -0.576326D+01 -0.388390D+01 -0.129455D+02 -0.505624D+01 -0.108376D+02
      5  -0.572643D+01 -0.965236D+00 -0.360843D+01 -0.971929D+00  0.665843D+01
      6  -0.131541D+02  0.380254D+01 -0.867999D+01  0.398827D+01  0.285974D+02
                96            97            98            99           100 
      1  -0.151116D+02 -0.952324D+01 -0.198062D+02  0.308740D+01  0.687086D+02
      2   0.282129D+02  0.735093D+01  0.317812D+02 -0.707658D+01 -0.372545D+02
      3  -0.131014D+02  0.217231D+01 -0.119750D+02  0.398918D+01 -0.314541D+02
      4   0.559909D+01 -0.145731D+02  0.841407D+01 -0.119725D+02 -0.300457D+02
      5  -0.101947D+01 -0.535935D+01 -0.420795D+01 -0.115924D+00  0.310483D+02
      6  -0.104095D+02 -0.119287D+02 -0.137937D+02  0.183355D+01 -0.900802D+01
               101           102           103           104           105 
      1  -0.907757D+01  0.184464D+02  0.176303D+01  0.597445D+01  0.227204D+01
      2   0.235193D+01 -0.125642D+02 -0.470508D+01 -0.197326D+01 -0.354207D+01
      3   0.672564D+01 -0.588218D+01  0.294206D+01 -0.400119D+01  0.127003D+01
      4   0.128795D+02 -0.823706D+01  0.109255D+02 -0.562431D+01  0.441070D+01
      5  -0.456385D+01  0.178079D+02  0.652437D+00  0.560688D+01 -0.531738D+00
      6   0.306595D+01 -0.605626D+01  0.303318D+01 -0.326447D+01  0.380306D+01
               106           107           108           109           110 
      1   0.146225D+02 -0.680945D+00  0.112710D+02 -0.317729D+01 -0.929906D+01
      2  -0.119532D+02 -0.584051D+00 -0.928088D+01  0.303078D+01  0.865621D+01
      3  -0.266922D+01  0.126500D+01 -0.199012D+01  0.146503D+00  0.642854D+00
      4  -0.794670D+01  0.445930D+01 -0.705616D+01 -0.343206D-01 -0.909490D+00
      5   0.209162D+02 -0.407764D+01  0.134992D+02  0.294082D+01 -0.784435D+00
      6  -0.715684D+01  0.442012D+01 -0.471575D+01 -0.519422D+01 -0.562570D+01
               111           112           113           114           115 
      1   0.873524D+01 -0.534570D+01 -0.193183D+02  0.100941D+02  0.567289D+01
      2  -0.467489D+01  0.351265D+01  0.244537D+02 -0.918811D+01 -0.250392D+01
      3  -0.406035D+01  0.183306D+01 -0.513544D+01 -0.905983D+00 -0.316897D+01
      4  -0.209251D+01  0.427930D+01 -0.146301D+02  0.679107D+01 -0.450376D+01
      5  -0.659228D+00 -0.179106D+01  0.691677D+01 -0.858496D+01  0.309692D+01
      6   0.499199D+01 -0.675703D+00 -0.181813D+02  0.142647D+02  0.446082D+00
               116           117           118           119           120 
      1   0.772529D+01 -0.100328D+02  0.146621D+02 -0.953254D+01 -0.521142D+01
      2  -0.587937D+01  0.491182D+01 -0.366330D+00 -0.296975D+01  0.135878D+01
      3  -0.184592D+01  0.512098D+01 -0.142957D+02  0.125023D+02  0.385264D+01
      4   0.686738D+01 -0.543606D+01 -0.243417D+02  0.228212D+02  0.751477D+01
      5  -0.676367D+01  0.794452D+01 -0.109075D+02  0.707970D+01  0.859759D+01
      6   0.131219D+02 -0.133805D+02  0.724316D+01 -0.552257D+01 -0.445224D+01
               121           122           123           124           125 
      1  -0.791703D+01 -0.861625D+00 -0.189546D+01 -0.356410D+01 -0.179296D+01
      2  -0.894509D+01  0.245148D+02  0.676399D+01  0.100549D+01  0.388170D+01
      3   0.168621D+02 -0.236532D+02 -0.486854D+01  0.255861D+01 -0.208875D+01
      4   0.319589D+02 -0.446371D+02 -0.148692D+02  0.875054D+01 -0.120213D+02
      5   0.965686D+01 -0.151173D+02 -0.100009D+02  0.115236D+02 -0.108252D+02
      6  -0.101307D+02  0.180154D+02  0.114886D+02 -0.793655D+01  0.122602D+02
               126           127           128           129           130 
      1   0.732602D+00  0.231177D+02  0.759226D+01 -0.983866D+01  0.155077D+02
      2   0.167181D+01 -0.166008D+02 -0.674815D+01  0.823099D+01 -0.132004D+02
      3  -0.240441D+01 -0.651689D+01 -0.844112D+00  0.160767D+01 -0.230738D+01
      4  -0.117378D+02  0.189735D+01  0.655671D+01 -0.439723D-01  0.705501D+01
      5  -0.883217D+01 -0.152836D+02 -0.392785D+01  0.123699D+02 -0.876142D+01
      6   0.859709D+01  0.830016D+00 -0.184503D+01 -0.189880D+01 -0.289048D+01
               131           132           133           134           135 
      1   0.921499D+01 -0.517573D+01 -0.939681D+01 -0.142561D+01  0.654354D+01
      2  -0.858153D+01  0.853138D+01  0.905542D+01  0.493542D+01 -0.109418D+02
      3  -0.633466D+00 -0.335565D+01  0.341395D+00 -0.350981D+01  0.439828D+01
      4   0.882383D+01 -0.732692D+01  0.164700D+01 -0.611549D+01  0.286100D+01
      5  -0.102615D+02  0.113251D+02  0.134135D+02  0.582426D+01 -0.151185D+02
      6  -0.180068D+01  0.506239D+00 -0.153453D+01  0.234423D+01  0.122075D+01
               136           137           138           139           140 
      1   0.177529D+02  0.109037D+02 -0.584815D+01  0.100548D+02  0.216915D+01
      2  -0.210591D+01  0.201191D+01  0.178022D+01  0.715247D+01  0.201713D+02
      3  -0.156470D+02 -0.129157D+02  0.406793D+01 -0.172073D+02 -0.223404D+02
      4   0.260966D+02  0.234001D+02 -0.785542D+01  0.327590D+02  0.431570D+02
      5  -0.120106D+02 -0.748396D+01  0.921467D+01 -0.102780D+02 -0.151740D+02
      6  -0.744425D+01 -0.565515D+01  0.453747D+01 -0.101585D+02 -0.166920D+02
               141           142           143           144           145 
      1   0.838038D+00 -0.423062D+01  0.995634D+00  0.174856D+01  0.219332D+02
      2  -0.554819D+01  0.164081D+01 -0.294706D+01  0.664164D+00 -0.155124D+02
      3   0.471016D+01  0.258980D+01  0.195142D+01 -0.241272D+01 -0.642078D+01
      4  -0.149115D+02 -0.895727D+01 -0.118241D+02  0.117626D+02 -0.292603D+01
      5   0.101155D+02  0.123316D+02  0.108346D+02 -0.921018D+01 -0.147032D+02
      6   0.108755D+02  0.792525D+01  0.114612D+02 -0.822101D+01 -0.383984D+00
               146           147           148           149           150 
      1  -0.758364D+01 -0.956114D+01 -0.155375D+02  0.941510D+01  0.497047D+01
      2   0.655598D+01  0.784445D+01  0.129519D+02 -0.858070D+01 -0.823710D+01
      3   0.102766D+01  0.171669D+01  0.258558D+01 -0.834400D+00  0.326663D+01
      4   0.700831D+01  0.558924D+00  0.799943D+01 -0.102001D+02 -0.792453D+01
      5   0.409328D+01  0.119670D+02  0.887705D+01 -0.107428D+02 -0.118623D+02
      6  -0.191644D+01  0.140455D+01 -0.315322D+01  0.246902D+01  0.921393D+00
               151           152           153           154           155 
      1  -0.942067D+01  0.128750D+01  0.626697D+01  0.715416D+02  0.743229D+01
      2   0.892856D+01 -0.478863D+01 -0.106194D+02 -0.396393D+02 -0.188066D+01
      3   0.492119D+00  0.350113D+01  0.435244D+01 -0.319023D+02 -0.555164D+01
      4  -0.112972D+01 -0.635802D+01 -0.359504D+01  0.264468D+02  0.114386D+02
      5   0.131768D+02 -0.627899D+01 -0.150639D+02  0.316403D+02  0.359387D+01
      6   0.106686D+01  0.257134D+01 -0.533901D+00  0.794568D+01  0.265351D+01
               156           157           158           159           160 
      1   0.190656D+02 -0.349576D+01  0.620660D+01 -0.270908D+01  0.152580D+02
      2  -0.131113D+02  0.532387D+01 -0.251338D+01  0.371819D+01 -0.125717D+02
      3  -0.595422D+01 -0.182811D+01 -0.369322D+01 -0.100910D+01 -0.268638D+01
      4   0.708345D+01  0.103695D+02  0.439649D+01  0.434866D+01  0.689885D+01
      5   0.181053D+02 -0.161978D+01  0.561717D+01 -0.870842D-01  0.213957D+02
      6   0.544449D+01  0.287184D+01  0.280374D+01  0.354003D+01  0.643056D+01
               161           162           163           164           165 
      1   0.364648D+00  0.118759D+02 -0.247258D+01  0.863875D+01  0.853186D+01
      2   0.756079D+00 -0.987306D+01  0.246293D+01 -0.780142D+01 -0.452048D+01
      3  -0.112073D+01 -0.200281D+01  0.965067D-02 -0.837332D+00 -0.401138D+01
      4   0.410770D+01  0.616190D+01  0.475898D+00 -0.110828D+01  0.176887D+01
      5   0.334475D+01  0.137125D+02  0.328264D+01  0.667555D+00 -0.552341D+00
      6   0.396201D+01  0.413490D+01  0.478785D+01 -0.523602D+01 -0.445444D+01
               166           167           168           169           170 
      1   0.509618D+01 -0.186293D+02 -0.986411D+01  0.575177D+01 -0.741245D+01
      2  -0.303782D+01  0.236451D+02  0.877905D+01 -0.265878D+01  0.543204D+01
      3  -0.205836D+01 -0.501587D+01  0.108505D+01 -0.309299D+01  0.198041D+01
      4   0.456587D+01  0.163013D+02  0.749890D+01  0.442054D+01  0.723804D+01
      5   0.194099D+01  0.756070D+01  0.921816D+01  0.335008D+01  0.716083D+01
      6  -0.230029D+00  0.181130D+02  0.140836D+02 -0.695619D-01  0.128534D+02
               171           172           173           174           175 
      1  -0.956619D+01  0.118380D+02 -0.623893D+01  0.941606D-02 -0.110711D+02
      2   0.445554D+01 -0.401111D+01  0.269833D+01 -0.270988D+00  0.615731D+01
      3   0.511066D+01 -0.782684D+01  0.354060D+01  0.261572D+00  0.491380D+01
      4   0.603458D+01 -0.107560D+02  0.108328D+02 -0.235715D+01  0.886459D+01
      5   0.845224D+01  0.285508D+01 -0.310186D+01  0.264123D+01 -0.819920D+01
      6   0.130006D+02 -0.278762D+01  0.361919D+01 -0.143791D+01  0.418396D+01
               176           177           178           179           180 
      1   0.462584D+01 -0.227498D+01 -0.612827D+01  0.911652D+00 -0.112564D+01
      2   0.601601D+00  0.369231D+01  0.331916D+01  0.939289D+00 -0.583405D+00
      3  -0.522744D+01 -0.141733D+01  0.280911D+01 -0.185094D+01  0.170904D+01
      4  -0.170267D+02  0.167996D+01 -0.242493D+01 -0.202119D+01 -0.394395D+01
      5   0.309672D+01 -0.562069D+01 -0.214280D+00 -0.323218D+01  0.477570D+00
      6  -0.653472D+01  0.187143D+01 -0.122498D+01  0.800946D+00 -0.175802D+01
               181           182           183           184           185 
      1  -0.416572D+01 -0.301172D+00  0.284454D+01  0.233910D+00 -0.103609D+01
      2   0.156314D+01 -0.303250D+00  0.182409D+01 -0.816441D-01 -0.199850D+01
      3   0.260258D+01  0.604422D+00 -0.466863D+01 -0.152266D+00  0.303459D+01
      4  -0.310023D+01  0.401184D+00 -0.703183D+00  0.312418D+01 -0.179431D+00
      5  -0.165109D+01 -0.534427D+00  0.551850D+00 -0.468044D+00  0.302306D+01
      6   0.958494D-01  0.843238D+00 -0.116206D+00  0.163034D+01 -0.243433D+00
               186           187           188           189           190 
      1  -0.337752D-01  0.261577D+01  0.174243D+01 -0.163922D+02 -0.439123D+01
      2   0.756969D+00 -0.580416D+01  0.163106D+01 -0.183265D+02  0.608413D+01
      3  -0.723193D+00  0.318839D+01 -0.337349D+01  0.347186D+02 -0.169290D+01
      4   0.330366D+01  0.105185D+01  0.413293D+01 -0.331578D+01 -0.441216D+01
      5  -0.667925D+00  0.810744D+01 -0.209578D+01  0.222127D+02  0.284984D+01
      6   0.518910D+01  0.295648D+00  0.357117D+01  0.745787D+00  0.189741D+00
               191           192           193           194           195 
      1   0.615098D+01 -0.165800D+01  0.646578D+01 -0.194070D+02  0.418242D+01
      2  -0.773984D+01  0.940900D+00 -0.638918D+01  0.299827D+02 -0.338207D+01
      3   0.158886D+01  0.717097D+00 -0.765936D-01 -0.105757D+02 -0.800344D+00
      4   0.571218D+00  0.182425D+01  0.577295D+01  0.167601D+01 -0.359668D+00
      5  -0.414985D+00 -0.963006D+00 -0.285313D+01  0.184290D+01  0.827224D+00
      6   0.641352D+01 -0.307526D+01  0.170349D+01 -0.111255D+02  0.597757D+01
               196           197           198           199           200 
      1   0.151936D+01  0.117499D+01 -0.450117D+01 -0.444333D+00  0.133589D+01
      2  -0.130078D+01  0.217806D+01  0.258234D+01 -0.249689D+01 -0.106972D+01
      3  -0.218582D+00 -0.335305D+01  0.191884D+01  0.294122D+01 -0.266168D+00
      4   0.326544D+01  0.385691D+01 -0.172852D+01  0.778939D-01 -0.856986D+00
      5  -0.121153D+01 -0.218554D+00  0.824523D+00 -0.189935D+01  0.248719D+00
      6  -0.228536D+01  0.252886D+01 -0.179452D+01 -0.387917D+00  0.216226D+01
               201           202           203           204           205 
      1  -0.327242D+01 -0.131412D+01 -0.390089D+01  0.439546D+00 -0.283794D+01
      2   0.919519D+00  0.106485D+01  0.128270D+01 -0.431187D+01  0.246144D+01
      3   0.235290D+01  0.249274D+00  0.261819D+01  0.387232D+01  0.376507D+00
      4  -0.886277D+00 -0.231035D+01 -0.352380D+01  0.292360D+00 -0.374380D+01
      5   0.370166D+01  0.103065D+01  0.665969D+00 -0.215024D+01  0.421898D+01
      6  -0.177409D+01  0.208106D+01 -0.560143D+00  0.213441D+01  0.900735D+00
               206           207           208           209           210 
      1   0.464949D+01 -0.199897D+02 -0.473531D+01 -0.673929D+01 -0.199362D+01
      2  -0.595602D+00 -0.139757D+02  0.645794D+01  0.869173D+01  0.123735D+01
      3  -0.405389D+01  0.339654D+02 -0.172263D+01 -0.195244D+01  0.756275D+00
      4  -0.280369D+01 -0.415760D+00  0.491695D+01  0.966418D+00 -0.170645D+01
      5   0.296270D+01 -0.137624D+02  0.285625D+01  0.661512D+00 -0.867958D+00
      6   0.732413D+01 -0.178840D+02  0.717848D-01  0.684580D+01  0.337186D+01
               211           212           213           214           215 
      1  -0.661846D+01 -0.188753D+02 -0.408198D+01  0.117779D+01 -0.851711D+00
      2   0.692777D+01  0.293681D+02  0.330928D+01 -0.111143D+01 -0.251711D+01
      3  -0.309309D+00 -0.104928D+02  0.772695D+00 -0.663600D-01  0.336882D+01
      4   0.608691D+01  0.165391D+00  0.375452D-01 -0.323142D+01  0.395656D+01
      5   0.288079D+01  0.216714D+01 -0.530298D+00 -0.111983D+01  0.382225D+00
      6   0.204495D+01  0.105987D+02  0.584498D+01  0.245648D+01  0.238483D+01
               216           217           218           219           220 
      1  -0.433232D+01 -0.494696D+00 -0.153790D+01 -0.320526D+01  0.976581D+00
      2   0.241560D+01 -0.245689D+01  0.128371D+01  0.101802D+01 -0.711871D+00
      3   0.191672D+01  0.295158D+01  0.254183D+00  0.218724D+01 -0.264710D+00
      4   0.204568D+01 -0.288789D+00 -0.578487D+00  0.109225D+01 -0.222979D+01
      5   0.899487D+00 -0.191427D+01 -0.375244D-01  0.386578D+01 -0.816446D+00
      6   0.173799D+01  0.671377D+00  0.216844D+01  0.170658D+01  0.211981D+01
               221           222           223           224           225 
      1  -0.357964D+01 -0.288075D+00 -0.271858D+01 -0.479655D+01 -0.199388D+02
      2   0.967115D+00  0.421968D+01  0.214933D+01  0.735083D+00 -0.139793D+02
      3   0.261253D+01 -0.393160D+01  0.569254D+00  0.406147D+01  0.339182D+02
      4   0.387556D+01  0.461709D+00  0.385792D+01 -0.274091D+01  0.662103D+00
      5   0.738719D+00  0.205155D+01  0.405126D+01 -0.282958D+01 -0.129360D+02
      6   0.350035D+00  0.198115D+01 -0.755309D+00  0.751557D+01  0.185035D+02
               226           227           228           229           230 
      1   0.134169D+02  0.684547D+01  0.276585D+00  0.114728D+02  0.508812D+01
      2  -0.525935D+01 -0.344756D+01 -0.579939D+00 -0.674682D+01 -0.149451D+00
      3  -0.815752D+01 -0.339790D+01  0.303354D+00 -0.472601D+01 -0.493867D+01
      4   0.108348D+02  0.106196D+02  0.239426D+01  0.830486D+01  0.160456D+02
      5   0.340234D+01  0.325879D+01  0.289533D+01  0.837480D+01  0.278254D+01
      6   0.296220D+01  0.364118D+01  0.138502D+01  0.399869D+01  0.599718D+01
               231           232           233           234           235 
      1   0.244836D+01 -0.594139D+01 -0.792249D+00 -0.799204D+00 -0.386857D+01
      2  -0.388426D+01  0.307364D+01 -0.951363D+00 -0.889896D+00  0.128252D+01
      3   0.143590D+01  0.286775D+01  0.174361D+01  0.168910D+01  0.258605D+01
      4   0.129394D+01  0.273945D+01 -0.214856D+01  0.395064D+01  0.345446D+01
      5   0.559894D+01 -0.334343D-01  0.327833D+01  0.530314D+00 -0.158786D+01
      6   0.160197D+01  0.124467D+01  0.629064D+00  0.172842D+01  0.668329D-01
               236           237           238           239           240 
      1   0.453159D+00  0.292441D+01  0.154610D+00 -0.104101D+01  0.175978D+00
      2   0.129164D+00  0.171682D+01 -0.325298D+00 -0.201052D+01 -0.111679D+01
      3  -0.582324D+00 -0.464123D+01  0.170688D+00  0.305153D+01  0.940808D+00
      4   0.259026D+00  0.782823D+00  0.299126D+01 -0.121804D-01  0.323493D+01
      5   0.774347D+00  0.591433D+00  0.728654D+00  0.297279D+01  0.864407D+00
      6   0.821892D+00  0.316286D+00  0.161859D+01  0.484407D-02  0.514268D+01
               241           242           243           244           245 
      1   0.243863D+01 -0.149930D+01 -0.161096D+02 -0.198176D+01 -0.262869D+01
      2  -0.576602D+01 -0.174116D+01 -0.185972D+02  0.285333D-02  0.470252D+01
      3   0.332740D+01  0.324047D+01  0.347068D+02  0.197891D+01 -0.207383D+01
      4  -0.124108D+01  0.418195D+01  0.322122D+01  0.561525D+01 -0.339119D+01
      5   0.816165D+01  0.189974D+01  0.221310D+02 -0.503831D+01  0.161900D+01
      6  -0.495704D+00  0.350206D+01 -0.169595D+01  0.136537D+02  0.177504D+01
               246           247           248           249           250 
      1  -0.497920D+01 -0.526376D+01  0.161310D+02  0.157145D+02 -0.729567D+01
      2   0.201699D+01  0.101830D+02 -0.215525D+02 -0.286929D+02  0.460023D+01
      3   0.296221D+01 -0.491928D+01  0.542151D+01  0.129785D+02  0.269544D+01
      4   0.135646D+02 -0.403180D+01  0.946637D+01  0.304303D+01  0.155304D+02
      5  -0.322435D+01  0.159633D+01  0.524169D+01  0.657925D+00 -0.469267D+01
      6   0.840930D+01  0.204163D+01 -0.290900D+02 -0.107341D+02  0.115409D+02
               251           252           253           254           255 
      1   0.209001D+02  0.415375D+01 -0.483585D+01  0.282136D+01  0.922874D+01
      2  -0.327953D+02 -0.821855D+01  0.768897D+01 -0.294619D+01 -0.202414D+01
      3   0.118952D+02  0.406480D+01 -0.285313D+01  0.124831D+00 -0.720460D+01
      4   0.546543D+01  0.114965D+02  0.684230D+01  0.199380D+01 -0.586353D+01
      5   0.383177D+01 -0.227130D+00  0.868309D+01  0.701134D+00 -0.138927D+01
      6  -0.146430D+02 -0.177378D+01 -0.601658D+01 -0.393148D+01 -0.462061D+01
               256           257           258           259           260 
      1   0.520211D+01 -0.179080D+02 -0.964935D+01  0.648575D+01 -0.591522D+01
      2  -0.884359D+01  0.180022D+02  0.165386D+02  0.370471D+00  0.920619D+01
      3   0.364147D+01 -0.942261D-01 -0.688925D+01 -0.685622D+01 -0.329097D+01
      4   0.199959D+01 -0.317607D+01 -0.216431D+01 -0.682815D+01 -0.209159D+01
      5   0.568804D+00 -0.696837D+01 -0.154720D+01 -0.318077D+00 -0.643471D+00
      6  -0.255096D+01  0.134294D+02  0.663368D+01 -0.377577D+01  0.312454D+01
               261           262           263           264           265 
      1   0.214539D+01  0.168628D+02 -0.281500D+01 -0.527863D+01 -0.343566D+00
      2   0.453634D+01 -0.147387D+02  0.573687D+01  0.743299D+01  0.210597D+01
      3  -0.668172D+01 -0.212406D+01 -0.292187D+01 -0.215436D+01 -0.176240D+01
      4  -0.289075D+01  0.145688D+02  0.588846D+01 -0.678802D+01  0.124226D+01
      5  -0.236369D+01 -0.170927D+02 -0.240820D+01  0.104975D+02  0.234898D+01
      6  -0.578664D+01 -0.680823D+01 -0.354876D+01  0.603141D+01 -0.514017D-01
               266           267           268           269           270 
      1   0.475953D+01 -0.765795D+00 -0.353934D+01 -0.103841D+01  0.153216D+01
      2  -0.344554D+01 -0.490464D-01  0.683998D+01  0.220713D+01 -0.717813D+01
      3  -0.131399D+01  0.814841D+00 -0.330063D+01 -0.116872D+01  0.564597D+01
      4   0.224169D+00  0.435396D+00 -0.278255D+01  0.181436D-01  0.304170D+01
      5  -0.159370D+00 -0.116354D+01  0.780959D+01 -0.137033D-01 -0.718731D+01
      6   0.186855D+01 -0.413067D+00  0.325658D+01  0.104256D+01 -0.474659D+01
               271           272           273           274           275 
      1  -0.354280D+00  0.620157D+01 -0.729587D+01  0.178685D+01 -0.165983D+01
      2  -0.428672D+01 -0.640455D+01 -0.144208D+01 -0.196062D+01 -0.719611D+00
      3   0.464100D+01  0.202980D+00  0.873795D+01  0.173767D+00  0.237944D+01
      4  -0.375682D+01 -0.107919D+01 -0.329190D+01 -0.202224D+00 -0.221637D+01
      5   0.171448D+01  0.332748D+00  0.326485D+01 -0.772627D-01  0.234733D+01
      6  -0.254127D+01  0.560349D+01 -0.824926D+01  0.254688D+01 -0.236499D+01
               276           277           278           279           280 
      1   0.151010D+01 -0.249092D+01  0.583049D+01 -0.147910D+02  0.123685D+02
      2  -0.583897D+00 -0.101278D+01 -0.194721D+01 -0.121688D+02 -0.286483D+01
      3  -0.926202D+00  0.350371D+01 -0.388327D+01  0.269598D+02 -0.950364D+01
      4   0.135236D+01 -0.327994D+01 -0.754533D+00 -0.290582D+01  0.251236D+02
      5  -0.106104D+01  0.380406D+01  0.309431D+00 -0.138436D+01  0.764604D+01
      6   0.487462D+01 -0.167824D+01  0.741763D+01 -0.198289D+02  0.984450D+01
               281           282           283           284           285 
      1  -0.250100D+01  0.462235D+01 -0.339169D+01 -0.135747D+01 -0.962113D+00
      2   0.101881D+02 -0.150980D+01  0.766048D+01  0.579305D+01  0.141874D+01
      3  -0.768706D+01 -0.311255D+01 -0.426879D+01 -0.443558D+01 -0.456627D+00
      4   0.119379D+02  0.974605D+01  0.662528D+01  0.918741D+01  0.203386D+01
      5   0.165765D+01  0.638367D+01  0.692648D+00  0.190060D+01  0.716389D+00
      6   0.295962D+01  0.844088D+01  0.125668D+01  0.207066D+01  0.351096D+01
               286           287           288           289           290 
      1   0.521439D+01 -0.113348D+01  0.638515D+00 -0.354408D+01 -0.829044D+00
      2  -0.246010D+01  0.454201D+01  0.559011D+00  0.879344D+01  0.589246D+01
      3  -0.275429D+01 -0.340853D+01 -0.119753D+01 -0.524936D+01 -0.506342D+01
      4   0.153833D+02  0.594337D+01  0.105619D+02  0.784156D+01  0.156086D+02
      5   0.790276D+01  0.312491D+01  0.791789D+01 -0.152152D+01 -0.342377D+01
      6   0.109684D+02  0.810176D+01  0.136960D+02 -0.473577D+01 -0.434179D+01
               291           292           293           294           295 
      1   0.998480D+00 -0.423357D+01 -0.351978D+02  0.127148D+02  0.380207D+01
      2  -0.229219D+01  0.104618D+02  0.625433D+02 -0.200020D+02 -0.550807D+01
      3   0.129371D+01 -0.622820D+01 -0.273455D+02  0.728723D+01  0.170600D+01
      4  -0.487048D+01  0.121036D+02  0.190728D+02 -0.730709D+01 -0.540632D+01
      5   0.367499D+01 -0.193629D+01 -0.468933D+01  0.302343D+01  0.413781D+01
      6   0.349670D+01 -0.593365D+01 -0.290002D+02  0.179416D+02  0.735781D+01
               296           297           298           299           300 
      1   0.190456D+02 -0.131065D+02 -0.396856D+01  0.749077D+00  0.824818D+00
      2  -0.272126D+02  0.155235D+02  0.876089D+01 -0.481765D+01 -0.180961D+01
      3   0.816698D+01 -0.241697D+01 -0.479233D+01  0.406857D+01  0.984795D+00
      4  -0.102369D+02  0.823649D+01 -0.612396D+01  0.148930D+02  0.451376D+01
      5   0.524410D+01 -0.467940D+01 -0.111892D+01  0.314413D+01  0.342370D+01
      6   0.263960D+02 -0.215850D+02  0.445061D+01 -0.340538D+01 -0.286127D+01
               301           302           303           304           305 
      1   0.381458D+01 -0.369672D+02 -0.133323D+02  0.337022D+01 -0.201382D+02
      2  -0.902706D+01  0.647610D+02  0.206690D+02 -0.471484D+01  0.284448D+02
      3   0.521248D+01 -0.277938D+02 -0.733674D+01  0.134462D+01 -0.830665D+01
      4   0.109988D+02 -0.158068D+02 -0.601974D+01  0.461598D+01 -0.838668D+01
      5   0.156925D+01 -0.360675D+01 -0.236795D+01  0.362414D+01 -0.424004D+01
      6  -0.490244D+01  0.295914D+02  0.181611D+02 -0.634018D+01  0.269853D+02
               306           307           308           309           310 
      1  -0.138014D+02  0.104224D+02  0.285441D+01  0.376170D+01  0.333406D+01
      2   0.162408D+02 -0.141532D+01 -0.107267D+02 -0.617332D+00 -0.778330D+01
      3  -0.243941D+01 -0.900709D+01  0.787226D+01 -0.314437D+01  0.444924D+01
      4  -0.693602D+01 -0.250045D+02  0.120332D+02 -0.996399D+01  0.682167D+01
      5  -0.371546D+01  0.712687D+01 -0.183653D+01  0.598800D+01 -0.897068D+00
      6   0.217695D+02 -0.100176D+02  0.348478D+01 -0.858861D+01  0.165131D+01
               311           312           313           314           315 
      1  -0.249725D+01  0.928970D+00  0.388703D+01  0.140205D+01 -0.300507D+00
      2   0.743289D+01 -0.149978D+01 -0.127136D+01 -0.489387D+01  0.151029D+01
      3  -0.493564D+01  0.570807D+00 -0.261566D+01  0.349182D+01 -0.120978D+01
      4  -0.962885D+01  0.234309D+01 -0.154202D+02  0.633425D+01 -0.105643D+02
      5   0.184472D+01 -0.826674D+00  0.729171D+01 -0.313477D+01  0.731330D+01
      6  -0.230874D+01  0.389635D+01 -0.109530D+02  0.875162D+01 -0.140616D+02
               316           317           318           319           320 
      1   0.155741D+02  0.279201D+01 -0.458463D+01 -0.987777D-01  0.445602D+01
      2  -0.136825D+02 -0.577919D+01  0.678893D+01 -0.170298D+01 -0.296215D+01
      3  -0.189157D+01  0.298718D+01 -0.220430D+01  0.180176D+01 -0.149387D+01
      4  -0.156761D+02  0.611234D+01  0.737926D+01  0.175468D+01 -0.991047D+00
      5  -0.167148D+02  0.303849D+01  0.102580D+02 -0.154251D+01 -0.239272D+00
      6   0.743703D+01 -0.403425D+01 -0.653055D+01 -0.354858D+00 -0.159834D+01
               321           322           323           324           325 
      1   0.101602D+01 -0.321293D+01  0.118386D+01  0.123996D+01 -0.402963D+00
      2  -0.290531D+00  0.646892D+01 -0.248648D+01 -0.688918D+01 -0.422860D+01
      3  -0.725493D+00 -0.325598D+01  0.130261D+01  0.564922D+01  0.463156D+01
      4   0.822205D-01  0.329501D+01 -0.257172D+00 -0.344228D+01  0.353192D+01
      5   0.657287D+00  0.770013D+01 -0.306359D+00 -0.699956D+01  0.182843D+01
      6  -0.149251D+00 -0.359781D+01  0.122431D+01  0.509135D+01  0.284587D+01
               326           327           328           329           330 
      1  -0.628699D+01 -0.701553D+01 -0.182564D+01 -0.113548D+01 -0.110949D+01
      2   0.660658D+01 -0.172922D+01  0.209635D+01 -0.128126D+01  0.567596D+00
      3  -0.319588D+00  0.874474D+01 -0.270710D+00  0.241674D+01  0.541890D+00
      4  -0.569353D+00  0.360756D+01 -0.893024D-01  0.226669D+01  0.127424D+01
      5  -0.396495D-01  0.369542D+01  0.229950D+00  0.242659D+01  0.110115D+01
      6   0.555431D+01  0.826989D+01  0.250621D+01  0.194402D+01  0.447721D+01
               331           332           333 
      1  -0.245704D+01 -0.576029D+01 -0.144979D+02
      2  -0.122369D+01  0.206182D+01 -0.124461D+02
      3   0.368073D+01  0.369847D+01  0.269439D+02
      4   0.331237D+01 -0.552286D+00  0.301342D+01
      5   0.388080D+01 -0.150401D+00 -0.488863D+00
      6   0.184633D+01  0.732498D+01  0.198650D+02
 Leave Link  716 at Fri Jul 23 19:05:36 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152215D+03 -0.774556D-02 -0.202096D-01
      2  -0.774556D-02  0.151135D+03 -0.583337D-03
      3  -0.202096D-01 -0.583337D-03  0.123096D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.605069D+00  0.142354D+00  0.123188D+01
      2   0.619609D-01  0.310377D+01 -0.255195D-01
      3   0.180436D+01 -0.832071D-01 -0.492699D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.614336D+01 -0.939121D+02 -0.156223D+00
      2   0.627298D+01  0.997737D+02  0.150641D+00
      3  -0.129620D+00 -0.586162D+01  0.558230D-02
      4  -0.922705D+02  0.629464D+01 -0.453587D+01
      5  -0.153067D+00  0.570026D+00 -0.220094D+00
      6  -0.799140D+01  0.129175D+00 -0.865725D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.743284D+01  0.607622D+00  0.373854D+01 -0.989442D+00 -0.284928D+01
      2   0.607622D+00 -0.254192D+01 -0.163010D+00 -0.284928D+01  0.100057D+01
      3   0.373854D+01 -0.163010D+00  0.516581D+00 -0.878370D+00  0.222653D+01
                 6             7             8             9            10 
      1  -0.878370D+00  0.332041D+01 -0.251332D+00  0.722309D+00 -0.115523D+01
      2   0.222653D+01 -0.251332D+00  0.164724D+01  0.119911D+01  0.596733D+00
      3   0.112641D+01  0.722309D+00  0.119911D+01 -0.649218D+00 -0.223493D+01
                11            12            13            14            15 
      1   0.596733D+00 -0.223493D+01  0.182846D+01  0.531688D+01 -0.783269D+00
      2   0.411813D+01 -0.102007D-02  0.531688D+01  0.261396D+01 -0.359436D+01
      3  -0.102007D-02  0.963966D+00 -0.783269D+00 -0.359436D+01 -0.253745D+00
                16            17            18            19            20 
      1  -0.191278D+01 -0.575388D+00  0.119330D+01 -0.228577D+01 -0.385595D+01
      2  -0.575388D+00 -0.296886D+01 -0.145109D+00 -0.385595D+01 -0.653194D+01
      3   0.119330D+01 -0.145109D+00  0.748585D+00  0.337721D+01  0.251824D+01
                21            22            23            24            25 
      1   0.337721D+01 -0.215662D+01 -0.438358D+01  0.147356D+01  0.220632D+01
      2   0.251824D+01 -0.438358D+01 -0.355475D+01  0.304812D+01  0.142493D+01
      3  -0.159450D+01  0.147356D+01  0.304812D+01 -0.189260D+01 -0.122499D+01
                26            27            28            29            30 
      1   0.142493D+01 -0.122499D+01  0.721757D-01  0.164696D+01 -0.461850D-02
      2   0.341930D+01 -0.200290D+01  0.164696D+01 -0.133033D+00 -0.168685D+01
      3  -0.200290D+01 -0.134769D+01 -0.461850D-02 -0.168685D+01 -0.393890D-02
                31            32            33            34            35 
      1   0.168815D+01 -0.124692D+00  0.196228D+01 -0.134374D-01 -0.696869D-01
      2  -0.124692D+00 -0.199590D+01 -0.317331D-03 -0.696869D-01 -0.472835D-02
      3   0.196228D+01 -0.317331D-03  0.160161D+00 -0.414217D-03  0.755866D-01
                36            37            38            39            40 
      1  -0.414217D-03  0.182651D+01 -0.345691D+01 -0.319624D+01 -0.184406D+01
      2   0.755866D-01 -0.345691D+01  0.666775D+01  0.251720D+01  0.444120D+01
      3  -0.376730D-02 -0.319624D+01  0.251720D+01  0.150906D+01  0.146936D+01
                41            42            43            44            45 
      1   0.444120D+01  0.146936D+01 -0.209547D+01  0.136394D+01  0.113215D+01
      2  -0.422863D+01 -0.322345D+01  0.136394D+01 -0.354861D+01 -0.204650D+01
      3  -0.322345D+01 -0.195198D+01  0.113215D+01 -0.204650D+01  0.134934D+01
                46            47            48            49            50 
      1   0.126530D+01  0.125995D+00  0.220665D+01  0.132588D+01 -0.526200D+01
      2   0.125995D+00 -0.398703D+01  0.502512D-01 -0.526200D+01  0.324594D+01
      3   0.220665D+01  0.502512D-01 -0.974210D+00 -0.725333D+00  0.362100D+01
                51            52            53            54            55 
      1  -0.725333D+00  0.188483D+01 -0.531457D+00 -0.120180D+01 -0.735800D+01
      2   0.362100D+01 -0.531457D+00  0.301986D+01 -0.109036D+00  0.114518D+01
      3  -0.209542D+00 -0.120180D+01 -0.109036D+00 -0.734365D+00 -0.375975D+01
                56            57            58            59            60 
      1   0.114518D+01 -0.375975D+01 -0.448438D+00  0.288962D+01 -0.809908D+00
      2   0.246213D+01 -0.810180D-01  0.288962D+01  0.626732D+00 -0.218349D+01
      3  -0.810180D-01 -0.475111D+00 -0.809908D+00 -0.218349D+01  0.115005D+01
                61            62            63            64            65 
      1  -0.332535D+01 -0.172304D+00 -0.655227D+00  0.103035D+02 -0.130927D+01
      2  -0.172304D+00 -0.162227D+01  0.122578D+01 -0.130927D+01 -0.105062D+01
      3  -0.655227D+00  0.122578D+01  0.647217D+00  0.515104D+01 -0.540659D+00
                66            67            68            69            70 
      1   0.515104D+01 -0.409307D+01 -0.683653D+00 -0.168579D+01  0.447492D+01
      2  -0.540659D+00 -0.683653D+00 -0.480053D+00  0.161977D+01  0.429403D-02
      3   0.270406D+01 -0.168579D+01  0.161977D+01 -0.712947D+00  0.247591D+01
                71            72            73            74            75 
      1   0.429403D-02  0.247591D+01 -0.105407D+02 -0.789802D+00 -0.523279D+01
      2   0.128222D+01 -0.199789D+00 -0.789802D+00  0.112312D+01 -0.387222D+00
      3  -0.199789D+00 -0.124371D+01 -0.523279D+01 -0.387222D+00 -0.272239D+01
                76            77            78            79            80 
      1  -0.358518D+01  0.869244D+00 -0.153137D+01 -0.447629D+01  0.136229D+00
      2   0.869244D+00 -0.593561D+00 -0.152889D+01  0.136229D+00 -0.128954D+01
      3  -0.153137D+01 -0.152889D+01 -0.593895D+00 -0.248629D+01 -0.995333D-01
                81            82            83            84            85 
      1  -0.248629D+01 -0.104022D+00  0.174571D+01  0.707016D+00  0.292118D+01
      2  -0.995333D-01  0.174571D+01  0.206948D+01 -0.138785D+01  0.443983D+01
      3   0.124582D+01  0.707016D+00 -0.138785D+01  0.155604D+01 -0.199896D+01
                86            87            88            89            90 
      1   0.443983D+01 -0.199896D+01  0.325108D-01 -0.134449D+01  0.225562D+01
      2   0.850671D+01 -0.529005D+01 -0.134449D+01 -0.368350D+01  0.122796D+01
      3  -0.529005D+01  0.160804D+01  0.225562D+01  0.122796D+01  0.339319D+00
                91            92            93            94            95 
      1  -0.110002D+01 -0.529309D+00 -0.241295D+01 -0.887885D+00 -0.171742D+01
      2  -0.529309D+00 -0.836247D+00  0.622939D+00 -0.171742D+01 -0.369512D+01
      3  -0.241295D+01  0.622939D+00 -0.156434D+01  0.509737D+00  0.430718D+01
                96            97            98            99           100 
      1   0.509737D+00 -0.307851D+01  0.111470D+01 -0.218652D+01  0.104729D+02
      2   0.430718D+01  0.111470D+01  0.589374D+01 -0.198190D+01 -0.195803D+01
      3  -0.104912D+01 -0.218652D+01 -0.198190D+01  0.113689D+00  0.303597D+01
               101           102           103           104           105 
      1  -0.195803D+01  0.303597D+01  0.919706D-01  0.111691D+01  0.311810D+00
      2   0.133341D+01 -0.443815D+00  0.111691D+01 -0.858632D+00  0.740103D+00
      3  -0.443815D+00  0.205482D+01  0.311810D+00  0.740103D+00 -0.206098D+00
               106           107           108           109           110 
      1   0.295279D+01 -0.527135D+00  0.248356D+01 -0.574864D+00 -0.807168D+00
      2  -0.527135D+00  0.627793D+00 -0.728182D+00 -0.807168D+00 -0.140808D+01
      3   0.248356D+01 -0.728182D+00  0.161684D+01  0.969608D+00  0.515067D+00
               111           112           113           114           115 
      1   0.969608D+00 -0.886323D+00 -0.234570D+00  0.150103D+00  0.116562D+01
      2   0.515067D+00 -0.234570D+00 -0.451175D+01  0.212236D+01 -0.222922D+00
      3  -0.835147D+00  0.150103D+00  0.212236D+01 -0.216790D+01  0.913868D-02
               116           117           118           119           120 
      1  -0.222922D+00  0.913868D-02  0.358075D+01 -0.244911D+01 -0.116319D+01
      2   0.190086D+01 -0.180395D+01 -0.244911D+01  0.252130D+01  0.533617D+00
      3  -0.180395D+01  0.224271D+01 -0.116319D+01  0.533617D+00  0.103143D+01
               121           122           123           124           125 
      1  -0.368526D+01  0.434627D+01  0.130532D+01 -0.141318D+01  0.116574D+01
      2   0.434627D+01 -0.681551D+01 -0.239209D+01  0.116574D+01 -0.194869D+01
      3   0.130532D+01 -0.239209D+01 -0.166137D+01  0.164591D+01 -0.176196D+01
               126           127           128           129           130 
      1   0.164591D+01  0.323965D+01  0.999627D+00 -0.162952D+01  0.211487D+01
      2  -0.176196D+01  0.999627D+00  0.112119D+01 -0.446607D+00  0.148791D+01
      3  -0.137816D+01 -0.162952D+01 -0.446607D+00  0.149969D+01 -0.798223D+00
               131           132           133           134           135 
      1   0.148791D+01 -0.798223D+00 -0.195485D+01 -0.138688D+00  0.155413D+01
      2   0.199460D+01 -0.141136D+01 -0.138688D+00 -0.117673D+01  0.808508D+00
      3  -0.141136D+01  0.165411D+01  0.155413D+01  0.808508D+00 -0.215215D+01
               136           137           138           139           140 
      1  -0.397820D+01 -0.259529D+01  0.124795D+01 -0.390071D+01 -0.436272D+01
      2  -0.259529D+01 -0.259892D+01  0.582396D+00 -0.436272D+01 -0.631984D+01
      3   0.124795D+01  0.582396D+00 -0.109812D+01  0.135920D+01  0.231747D+01
               141           142           143           144           145 
      1   0.135920D+01  0.150272D+01  0.117366D+01 -0.172104D+01 -0.306545D+01
      2   0.231747D+01  0.117366D+01  0.184651D+01 -0.169246D+01  0.101631D+01
      3  -0.161744D+01 -0.172104D+01 -0.169246D+01  0.137943D+01  0.156570D+01
               146           147           148           149           150 
      1   0.101631D+01  0.156570D+01  0.214058D+01 -0.153522D+01 -0.812357D+00
      2  -0.113642D+01 -0.463261D+00 -0.153522D+01  0.218175D+01  0.146487D+01
      3  -0.463261D+00 -0.143321D+01 -0.812357D+00  0.146487D+01  0.172530D+01
               151           152           153           154           155 
      1   0.193596D+01 -0.165899D+00 -0.151576D+01 -0.106390D+02 -0.161353D+01
      2  -0.165899D+00  0.119290D+01  0.870913D+00 -0.161353D+01 -0.120981D+01
      3  -0.151576D+01  0.870913D+00  0.213668D+01 -0.304665D+01 -0.344954D+00
               156           157           158           159           160 
      1  -0.304665D+01  0.430225D+00 -0.110033D+01  0.409884D+00 -0.298494D+01
      2  -0.344954D+00 -0.110033D+01 -0.722998D+00 -0.739032D+00 -0.417160D+00
      3  -0.206320D+01  0.409884D+00 -0.739032D+00 -0.115888D+00 -0.251763D+01
               161           162           163           164           165 
      1  -0.417160D+00 -0.251763D+01  0.450595D+00 -0.762245D+00 -0.939739D+00
      2  -0.582948D+00 -0.620963D+00 -0.762245D+00  0.131484D+01  0.481529D+00
      3  -0.620963D+00 -0.161786D+01 -0.939739D+00  0.481529D+00  0.757288D+00
               166           167           168           169           170 
      1  -0.901411D+00  0.120434D+00  0.103849D+00 -0.118342D+01 -0.247433D+00
      2   0.120434D+00 -0.458461D+01 -0.214722D+01 -0.247433D+00 -0.188614D+01
      3   0.103849D+00 -0.214722D+01 -0.220275D+01 -0.795026D-01 -0.180249D+01
               171           172           173           174           175 
      1  -0.795026D-01 -0.207098D+01  0.173888D+01  0.246323D+00  0.347152D+01
      2  -0.180249D+01  0.173888D+01 -0.216333D+01  0.435289D+00 -0.136759D+01
      3  -0.223489D+01  0.246323D+00  0.435289D+00 -0.327845D+00  0.138864D+01
               176           177           178           179           180 
      1  -0.136759D+01  0.138864D+01  0.184194D+01  0.558573D+00  0.377103D+00
      2   0.328688D+01 -0.151737D+00  0.558573D+00  0.118971D+00  0.735396D+00
      3  -0.151737D+00  0.117261D+01  0.377103D+00  0.735396D+00 -0.162907D+00
               181           182           183           184           185 
      1   0.181117D+01  0.422407D+00  0.398116D+00 -0.785169D-01 -0.680781D+00
      2   0.422407D+00 -0.619694D+00  0.804083D-01 -0.680781D+00  0.864897D-01
      3   0.398116D+00  0.804083D-01  0.773996D+00  0.349481D-01 -0.782330D+00
               186           187           188           189           190 
      1   0.349481D-01 -0.171194D+01 -0.203475D+00 -0.126212D+01  0.137703D+01
      2  -0.782330D+00 -0.203475D+00 -0.993433D+00  0.607026D+00  0.150189D-01
      3   0.142741D+00 -0.126212D+01  0.607026D+00 -0.693326D+01 -0.679529D+00
               191           192           193           194           195 
      1   0.150189D-01 -0.679529D+00 -0.176397D+01  0.953500D+00 -0.123241D+00
      2   0.210407D+01 -0.107060D+01  0.953500D+00 -0.564056D+01  0.795635D+00
      3  -0.107060D+01  0.737335D+00 -0.123241D+00  0.795635D+00 -0.972218D+00
               196           197           198           199           200 
      1  -0.999065D+00 -0.103877D+01  0.731638D+00 -0.324813D+00  0.345341D+00
      2  -0.103877D+01 -0.729548D+00 -0.154598D+00  0.345341D+00  0.825797D+00
      3   0.731638D+00 -0.154598D+00  0.279635D+00  0.406175D+00 -0.429616D+00
               201           202           203           204           205 
      1   0.406175D+00  0.720117D+00  0.129676D+01 -0.555847D+00  0.135495D+01
      2  -0.429616D+00  0.129676D+01  0.348095D+00  0.218574D-01  0.438374D+00
      3   0.329326D+00 -0.555847D+00  0.218574D-01  0.636114D+00 -0.312724D+00
               206           207           208           209           210 
      1   0.438374D+00 -0.312724D+00 -0.137566D+01 -0.655536D-01  0.624791D+00
      2   0.129412D+01 -0.130419D+01 -0.655536D-01 -0.233403D+01 -0.112886D+01
      3  -0.130419D+01  0.685482D+01  0.624791D+00 -0.112886D+01 -0.779578D+00
               211           212           213           214           215 
      1  -0.178456D+01 -0.111692D+01 -0.181572D+00  0.913629D+00 -0.104873D+01
      2  -0.111692D+01 -0.544693D+01 -0.734290D+00 -0.104873D+01  0.833622D+00
      3  -0.181572D+00 -0.734290D+00 -0.937875D+00 -0.741623D+00 -0.117499D+00
               216           217           218           219           220 
      1  -0.741623D+00  0.376856D+00  0.236269D+00 -0.450210D+00  0.586867D+00
      2  -0.117499D+00  0.236269D+00 -0.834284D+00 -0.411386D+00 -0.132139D+01
      3  -0.277559D+00 -0.450210D+00 -0.411386D+00 -0.303159D+00 -0.536205D+00
               221           222           223           224           225 
      1  -0.132139D+01 -0.536205D+00 -0.131946D+01  0.440960D+00  0.252893D+00
      2   0.501142D+00  0.207976D-01  0.440960D+00 -0.133734D+01 -0.132455D+01
      3   0.207976D-01  0.640463D+00  0.252893D+00 -0.132455D+01 -0.685033D+01
               226           227           228           229           230 
      1   0.234547D+01  0.179676D+01 -0.179113D+00  0.347861D+01  0.125907D+01
      2   0.179676D+01  0.213667D+01  0.454237D+00  0.125907D+01  0.313470D+01
      3  -0.179113D+00  0.454237D+00  0.368996D+00  0.140665D+01  0.532611D-01
               231           232           233           234           235 
      1   0.140665D+01 -0.178522D+01  0.635356D+00 -0.347217D+00 -0.175972D+01
      2   0.532611D-01  0.635356D+00 -0.180949D+00  0.754536D+00  0.555555D+00
      3   0.116311D+01 -0.347217D+00  0.754536D+00  0.158376D+00 -0.387612D+00
               236           237           238           239           240 
      1   0.555555D+00 -0.387612D+00  0.536346D-01  0.663231D+00  0.816379D-01
      2   0.580017D+00  0.130904D+00  0.663231D+00  0.282988D-02  0.775048D+00
      3   0.130904D+00 -0.767369D+00  0.816379D-01  0.775048D+00  0.177447D+00
               241           242           243           244           245 
      1   0.169098D+01 -0.235106D+00  0.128489D+01  0.103595D+01 -0.479277D+00
      2  -0.235106D+00  0.101284D+01  0.553534D+00 -0.479277D+00  0.724277D+00
      3   0.128489D+01  0.553534D+00  0.693018D+01  0.245312D+01  0.306748D+00
               246           247           248           249           250 
      1   0.245312D+01 -0.770034D+00  0.160499D+01  0.211320D+00  0.316229D+01
      2   0.306748D+00  0.160499D+01 -0.384015D+01 -0.433654D+01  0.716188D+00
      3   0.152477D+01  0.211320D+00 -0.433654D+01 -0.110391D+01  0.210122D+01
               251           252           253           254           255 
      1   0.716188D+00  0.210122D+01  0.365088D+00  0.144723D+01 -0.858285D+00
      2  -0.599887D+01 -0.209989D+01  0.144723D+01 -0.183012D+01 -0.110460D+01
      3  -0.209989D+01 -0.103208D+00 -0.858285D+00 -0.110460D+01 -0.147233D+01
               256           257           258           259           260 
      1   0.250922D+01 -0.422574D+01 -0.171329D+01 -0.163909D+00 -0.117139D+01
      2  -0.422574D+01  0.894365D+01  0.539206D+01 -0.117139D+01  0.377515D+01
      3  -0.171329D+01  0.539206D+01  0.165607D+01 -0.219358D+01  0.133240D+01
               261           262           263           264           265 
      1  -0.219358D+01  0.518394D+01  0.623954D+00 -0.243733D+01 -0.281295D-01
      2   0.133240D+01  0.623954D+00  0.227229D+01 -0.524598D+00  0.842792D-01
      3  -0.351823D+00 -0.243733D+01 -0.524598D+00  0.188078D+01  0.478222D+00
               266           267           268           269           270 
      1   0.842792D-01  0.478222D+00 -0.167856D+01  0.284502D+00  0.110350D+01
      2  -0.129463D+01  0.777972D+00  0.284502D+00  0.659627D+00 -0.902862D-01
      3   0.777972D+00 -0.408313D+00  0.110350D+01 -0.902862D-01 -0.174260D+01
               271           272           273           274           275 
      1  -0.468046D+00 -0.575332D+00 -0.699508D+00  0.666997D-01 -0.981652D+00
      2  -0.575332D+00 -0.240597D+01  0.113069D+01 -0.981652D+00 -0.320308D+00
      3  -0.699508D+00  0.113069D+01 -0.195060D+01  0.482882D+00 -0.100034D+00
               276           277           278           279           280 
      1   0.482882D+00 -0.986021D+00 -0.763533D-02 -0.545857D+00  0.415802D+01
      2  -0.100034D+00 -0.763533D-02 -0.137139D+01  0.119255D+01  0.116445D+01
      3   0.444413D+00 -0.545857D+00  0.119255D+01 -0.551257D+01  0.166792D+01
               281           282           283           284           285 
      1   0.116445D+01  0.166792D+01  0.539285D+00  0.125292D+01  0.115273D+00
      2   0.213211D+01  0.388411D+00  0.125292D+01  0.965640D+00  0.384016D+00
      3   0.388411D+00  0.146667D+01  0.115273D+00  0.384016D+00  0.275084D+00
               286           287           288           289           290 
      1   0.265350D+01  0.451864D+00  0.180617D+01  0.964333D+00  0.177948D+01
      2   0.451864D+00  0.923731D+00  0.972285D+00  0.177948D+01  0.125613D+01
      3   0.180617D+01  0.972285D+00  0.227769D+01 -0.413099D+00 -0.560943D+00
               291           292           293           294           295 
      1  -0.413099D+00  0.148359D+01  0.162519D+01 -0.590429D+00 -0.404758D+00
      2  -0.560943D+00  0.162519D+01  0.887017D+01 -0.288913D+01 -0.122659D+01
      3   0.486552D+00 -0.590429D+00 -0.288913D+01  0.196288D+01  0.101344D+01
               296           297           298           299           300 
      1  -0.122659D+01  0.101344D+01 -0.747821D+00  0.170377D+01  0.376825D+00
      2  -0.483631D+01  0.314732D+01  0.170377D+01 -0.101478D+01 -0.450357D+00
      3   0.314732D+01 -0.261335D+01  0.376825D+00 -0.450357D+00 -0.399441D+00
               301           302           303           304           305 
      1   0.138490D+01 -0.136493D+01 -0.477439D+00  0.306544D+00 -0.102522D+01
      2  -0.136493D+01  0.905316D+01  0.293474D+01 -0.102522D+01  0.496406D+01
      3  -0.477439D+00  0.293474D+01  0.197734D+01 -0.871811D+00  0.319605D+01
               306           307           308           309           310 
      1  -0.871811D+00 -0.404115D+01  0.120859D+01 -0.164982D+01  0.617835D+00
      2   0.319605D+01  0.120859D+01 -0.216414D+01  0.464209D+00 -0.126733D+01
      3   0.261227D+01 -0.164982D+01  0.464209D+00 -0.145910D+01  0.175880D+00
               311           312           313           314           315 
      1  -0.126733D+01  0.175880D+00 -0.261047D+01  0.537748D+00 -0.176436D+01
      2   0.118495D+01 -0.394346D+00  0.537748D+00 -0.944851D+00  0.106028D+01
      3  -0.394346D+00  0.338604D+00 -0.176436D+01  0.106028D+01 -0.228103D+01
               316           317           318           319           320 
      1  -0.510130D+01  0.764282D+00  0.242510D+01  0.213011D+00 -0.161164D+00
      2   0.764282D+00 -0.238158D+01 -0.675106D+00 -0.161164D+00 -0.114513D+01
      3   0.242510D+01 -0.675106D+00 -0.189679D+01  0.321559D+00 -0.765850D+00
               321           322           323           324           325 
      1   0.321559D+00  0.170678D+01  0.164519D+00 -0.111608D+01  0.428630D+00
      2  -0.765850D+00  0.164519D+00 -0.675753D+00 -0.327280D-01 -0.439362D+00
      3  -0.315187D+00 -0.111608D+01 -0.327280D-01  0.174911D+01  0.776819D+00
               326           327           328           329           330 
      1  -0.439362D+00  0.776819D+00  0.137010D+00  0.972702D+00  0.449485D+00
      2   0.241923D+01  0.109020D+01  0.972702D+00 -0.498922D+00  0.417305D-01
      3   0.109020D+01  0.195904D+01  0.449485D+00  0.417305D-01  0.361806D+00
               331           332           333 
      1   0.990951D+00  0.923235D-02  0.601657D+00
      2   0.923235D-02  0.136791D+01  0.115926D+01
      3   0.601657D+00  0.115926D+01  0.550872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383904D+00  0.246514D+01 -0.266673D+01  0.376920D+01  0.566362D+01
      2   0.751972D+00 -0.109610D+01  0.917312D+01 -0.187525D+01 -0.123733D+02
      3  -0.408383D+01 -0.106657D+02 -0.157964D+01 -0.740205D+01  0.532611D+01
                 6             7             8             9            10 
      1  -0.186515D+01 -0.937381D+00  0.620432D-01 -0.198330D+01 -0.482599D+01
      2  -0.404161D+01  0.272838D+01 -0.174567D+00  0.164291D+01  0.109240D+02
      3   0.858097D+01 -0.310443D+00  0.944887D+01  0.431042D+01  0.542011D+01
                11            12            13            14            15 
      1   0.415530D+01  0.103837D+00  0.394889D+01 -0.113471D+01 -0.745374D+01
      2  -0.266920D+01  0.356539D+01 -0.422711D+01  0.987537D-01  0.602186D+01
      3   0.789020D+01  0.674599D+01  0.105663D+02 -0.572078D+01 -0.576753D+01
                16            17            18            19            20 
      1  -0.120439D+01 -0.184302D+01  0.359215D+00 -0.111416D+01 -0.446927D+00
      2   0.127727D+01  0.216737D+01 -0.210075D+01 -0.181756D+02 -0.126945D+02
      3   0.799721D+01 -0.569540D+01 -0.408451D+01 -0.226580D+02 -0.201307D+02
                21            22            23            24            25 
      1   0.781942D+01  0.924800D+01  0.260494D+02 -0.600716D+01  0.174698D+02
      2   0.416452D+01 -0.448451D+01  0.297639D+01 -0.494350D+01 -0.127374D+02
      3   0.975891D+01  0.599484D+01  0.235267D+02 -0.761872D+01  0.509645D+01
                26            27            28            29            30 
      1   0.218965D+02 -0.250071D+02 -0.219330D-01 -0.328871D+01  0.587822D-01
      2  -0.128899D+02  0.131539D+02 -0.334966D+01  0.174696D+00 -0.105221D+02
      3  -0.542555D+00 -0.139279D+01 -0.167446D+00  0.149032D+02 -0.840810D-01
                31            32            33            34            35 
      1  -0.145163D+01  0.973496D-01  0.119751D+02  0.291705D-01 -0.172104D+02
      2   0.683252D-01  0.555581D+00 -0.154654D-01  0.190624D+02  0.104580D-01
      3  -0.184142D+02  0.242332D-01  0.966810D+00 -0.825907D-01  0.778824D+00
                36            37            38            39            40 
      1   0.957096D-01  0.613751D+00 -0.990825D+00 -0.780556D+01  0.829889D+01
      2  -0.150583D+00 -0.175178D+02  0.136186D+02  0.472549D+01  0.509483D+01
      3  -0.409950D-01  0.220359D+02 -0.221020D+02 -0.100396D+02  0.390762D+01
                41            42            43            44            45 
      1  -0.262497D+02 -0.539121D+01 -0.169639D+02  0.232627D+02  0.255391D+02
      2   0.323513D+01  0.496207D+01 -0.114086D+02  0.124080D+02  0.120223D+02
      3  -0.227134D+02 -0.711426D+01 -0.510871D+01 -0.277091D+00  0.136956D+01
                46            47            48            49            50 
      1   0.568045D+01  0.398044D+01 -0.268254D+00  0.391622D+01  0.768934D+00
      2   0.110452D+02  0.190595D+01  0.333637D+01  0.354837D+01 -0.188109D+00
      3  -0.464625D+01  0.823454D+01 -0.691190D+01  0.110074D+02  0.486944D+01
                51            52            53            54            55 
      1  -0.769592D+01  0.119846D+01 -0.203765D+01 -0.432316D+00 -0.106052D+00
      2  -0.581326D+01  0.117400D+01 -0.222083D+01 -0.203240D+01  0.878222D+00
      3  -0.547293D+01 -0.824329D+01 -0.531252D+01  0.415197D+01  0.338052D+01
                56            57            58            59            60 
      1   0.225094D+01  0.298391D+01  0.362463D+01 -0.650884D+01 -0.182582D+01
      2   0.517862D+00  0.918992D+01  0.122079D+01 -0.122427D+02  0.370556D+01
      3  -0.109425D+02  0.187166D+01 -0.782948D+01 -0.438668D+01  0.848331D+01
                61            62            63            64            65 
      1   0.105961D+01  0.252017D-01  0.202560D+01 -0.413187D+01 -0.108910D+02
      2   0.272022D+01  0.353587D-01  0.154392D+01  0.260220D+02 -0.173689D+01
      3   0.711524D+00  0.937960D+01 -0.430204D+01  0.614509D+01  0.102503D+02
                66            67            68            69            70 
      1  -0.291782D+01 -0.226818D+02  0.371324D+01 -0.107869D+02 -0.109031D+01
      2   0.231340D+01  0.433584D+01  0.480756D+01  0.463543D+01 -0.322514D+02
      3   0.184516D+01  0.354749D+02 -0.428718D+01  0.124925D+02 -0.238111D+01
                71            72            73            74            75 
      1   0.113786D+01  0.928198D+00  0.367769D+01 -0.111586D+02  0.248024D+01
      2   0.383091D+01 -0.288790D+02  0.258342D+02  0.131144D+01  0.199965D+01
      3   0.545300D+01 -0.102404D+01 -0.397844D+01  0.107173D+02 -0.123570D+01
                76            77            78            79            80 
      1  -0.231545D+02 -0.202363D+01 -0.111006D+02 -0.280222D+00  0.966297D+00
      2  -0.421909D+01  0.506861D+01 -0.423704D+01 -0.323247D+02 -0.249542D+01
      3   0.358237D+02  0.228117D+01  0.125339D+02  0.264105D+01  0.533985D+01
                81            82            83            84            85 
      1  -0.218661D+01 -0.319389D+01  0.423539D+01  0.199554D+01  0.625969D+01
      2  -0.287975D+02 -0.176309D+02 -0.176720D+02  0.142753D+02 -0.592956D+01
      3   0.105214D+01 -0.219465D+02 -0.255017D+02  0.157872D+02 -0.292922D-01
                86            87            88            89            90 
      1   0.215606D+02 -0.817648D-03  0.108422D+02  0.271075D+02 -0.168595D+02
      2   0.197772D+01 -0.583973D+01 -0.483871D+01 -0.180247D+02  0.142905D+02
      3   0.187616D+02 -0.475787D+01  0.709513D+01 -0.381153D+01  0.413357D+01
                91            92            93            94            95 
      1   0.914680D+01  0.338960D+01  0.601191D+01  0.426355D+01 -0.115503D+02
      2  -0.221670D+01  0.810514D+00  0.176892D-01 -0.221955D+00  0.217690D+01
      3  -0.537646D+01 -0.144526D+01 -0.733289D+01  0.367420D+01 -0.675731D+00
                96            97            98            99           100 
      1  -0.435729D+01  0.439202D+01 -0.335479D+01  0.287902D+01  0.162313D+01
      2  -0.437768D+00 -0.330799D+01  0.443835D+00 -0.564693D+00 -0.285833D+01
      3  -0.675955D+01 -0.117153D+02 -0.766657D+01 -0.518719D+01 -0.920570D+01
               101           102           103           104           105 
      1   0.175153D+01  0.306839D+01 -0.254101D+00  0.117649D+01 -0.104850D+01
      2   0.142358D+01  0.476053D+01 -0.202001D+01  0.184109D+01 -0.147415D+01
      3  -0.360407D+01 -0.365583D+01 -0.861053D+00 -0.495266D+00 -0.173681D+01
               106           107           108           109           110 
      1   0.212662D+01  0.107054D+01  0.139801D+01  0.133019D+01 -0.139023D+01
      2   0.214707D+01 -0.495682D+00  0.253490D+01  0.517284D+01  0.223216D+01
      3  -0.148070D+01 -0.269901D+01 -0.116001D+01  0.545189D+01  0.557369D+01
               111           112           113           114           115 
      1  -0.188328D+01 -0.180214D+00 -0.143688D+01 -0.293752D+01 -0.312228D+00
      2  -0.345048D+01  0.126655D+01  0.658380D+01 -0.625694D+01 -0.309662D+01
      3  -0.346528D+01  0.444014D+01  0.131514D+02 -0.652562D+01 -0.169537D+01
               116           117           118           119           120 
      1  -0.540096D-01  0.218122D+01 -0.715268D+00 -0.190053D+00  0.197852D+01
      2  -0.503555D+01  0.600809D+01 -0.122864D+01  0.846602D+00  0.360049D+01
      3  -0.531282D+01  0.573082D+01  0.640901D+00 -0.385530D+01 -0.145419D+00
               121           122           123           124           125 
      1  -0.238522D+01  0.264126D+01 -0.247034D+01  0.111616D+01 -0.329647D+00
      2  -0.242553D+01 -0.102586D+01 -0.374318D+01  0.751900D+00 -0.276895D+01
      3  -0.106165D+01  0.968295D+01  0.393816D+01  0.150219D+01  0.258954D+01
               126           127           128           129           130 
      1  -0.135859D+01 -0.420675D+01 -0.169164D+01  0.261052D+01 -0.284425D+01
      2  -0.209629D+01 -0.190959D+01  0.245566D+00  0.347444D+01  0.785156D+00
      3   0.118616D+01 -0.756254D+01 -0.622215D+01  0.414300D+01 -0.699955D+01
               131           132           133           134           135 
      1  -0.568132D+01  0.370375D+01  0.267472D+01  0.440879D+01 -0.423383D+01
      2  -0.331467D+01  0.541881D+01  0.138503D+01  0.274676D+01 -0.491984D+01
      3  -0.111467D+02  0.603468D+01  0.389567D+01  0.440664D+01 -0.578101D+01
               136           137           138           139           140 
      1   0.525654D+00 -0.400563D+00 -0.191720D+01 -0.242426D+01 -0.254793D+01
      2  -0.115026D+01 -0.793667D+00  0.383282D+01  0.253387D+01 -0.995858D+00
      3  -0.835277D+00 -0.425211D+01  0.296241D+00 -0.147449D+01 -0.943133D+01
               141           142           143           144           145 
      1  -0.221491D+01 -0.112230D+01 -0.186727D+00  0.126253D+01  0.391429D+01
      2   0.367942D+01  0.959393D+00  0.279312D+01 -0.215596D+01 -0.209049D+01
      3   0.394684D+01 -0.137344D+01  0.270816D+01 -0.120209D+01  0.696929D+01
               146           147           148           149           150 
      1  -0.166632D+01 -0.232879D+01 -0.280100D+01  0.578180D+01  0.357037D+01
      2  -0.178625D+00  0.338959D+01 -0.731110D+00 -0.353963D+01 -0.574438D+01
      3  -0.611934D+01 -0.391859D+01 -0.685568D+01  0.117706D+02  0.621604D+01
               151           152           153           154           155 
      1  -0.241571D+01  0.440114D+01  0.399721D+01 -0.167628D+01  0.171833D+01
      2   0.138210D+01 -0.300316D+01 -0.503392D+01 -0.277160D+01 -0.131733D+01
      3  -0.368983D+01  0.457489D+01  0.577477D+01  0.902042D+01 -0.394828D+01
               156           157           158           159           160 
      1  -0.290900D+01 -0.934634D-01 -0.111532D+01 -0.852860D+00 -0.201640D+01
      2   0.496144D+01  0.215929D+01  0.181859D+01  0.130723D+01  0.231190D+01
      3   0.360093D+01 -0.130014D+01  0.624838D+00 -0.190376D+01  0.139806D+01
               161           162           163           164           165 
      1   0.116714D+01 -0.128894D+01 -0.115607D+01 -0.137330D+01  0.163406D+01
      2   0.378176D+00  0.259650D+01  0.504378D+01 -0.217389D+01 -0.329672D+01
      3  -0.275332D+01  0.116712D+01 -0.500667D+01  0.533476D+01  0.323631D+01
               166           167           168           169           170 
      1  -0.114926D+00  0.177581D+01 -0.275099D+01  0.199853D+00  0.166556D+00
      2  -0.123793D+01  0.668802D+01  0.653365D+01 -0.291215D+01  0.517831D+01
      3   0.416663D+01 -0.136213D+02 -0.669502D+01  0.148031D+01 -0.541935D+01
               171           172           173           174           175 
      1  -0.189931D+01 -0.169412D+01  0.250627D+01 -0.136942D+00  0.490923D+01
      2   0.608893D+01 -0.905731D+00  0.163262D+01  0.220508D+01  0.602991D+01
      3  -0.576197D+01  0.233357D+01 -0.430903D+01  0.230871D+00 -0.487372D+01
               176           177           178           179           180 
      1  -0.691320D+01  0.570586D+00  0.226836D+01 -0.588778D+00 -0.629483D-01
      2  -0.158262D+01  0.623065D+00  0.402575D+01 -0.128282D+01  0.939610D+00
      3   0.978991D+01 -0.186233D+01 -0.187483D+01  0.212965D+01  0.516683D-01
               181           182           183           184           185 
      1  -0.210889D+01 -0.103666D+01 -0.110602D+01 -0.343460D+00 -0.517027D+00
      2  -0.215518D+01  0.396991D+00 -0.455500D+01 -0.806883D+00  0.207496D+01
      3   0.159369D+01  0.349037D-01  0.655227D+00  0.116613D+01  0.390699D+00
               186           187           188           189           190 
      1   0.613612D+00  0.793728D+00  0.252617D+01 -0.690096D+00  0.128164D+01
      2  -0.407045D+00  0.673134D+00 -0.203540D+01  0.153272D+02 -0.250465D+01
      3  -0.158057D+01 -0.100906D+01 -0.219300D+01  0.164911D+01 -0.243614D+01
               191           192           193           194           195 
      1   0.585096D+01 -0.159639D+01  0.120045D+01 -0.678683D+01 -0.109170D+01
      2   0.221920D+01  0.816942D-01  0.272482D+01 -0.322629D+01  0.140443D+01
      3   0.582646D+01 -0.223307D+01  0.562346D+01 -0.873759D+01  0.145886D+01
               196           197           198           199           200 
      1  -0.940166D+00 -0.414576D+01  0.233084D+00 -0.368474D+00 -0.244746D+01
      2  -0.539081D+00  0.401566D+00 -0.483771D+00 -0.146217D+01  0.780132D+00
      3   0.217507D+00 -0.235568D+01 -0.257167D+00 -0.120484D+01 -0.151457D+01
               201           202           203           204           205 
      1   0.192326D+01 -0.218522D+01 -0.131100D+01  0.385913D+01 -0.484735D+00
      2  -0.125564D+01 -0.228577D+00 -0.424007D+00 -0.103380D+01 -0.262396D+01
      3  -0.939294D+00 -0.289077D+00 -0.892131D+00  0.148989D+01 -0.241239D+01
               206           207           208           209           210 
      1  -0.108574D+01  0.124726D+02 -0.106887D+01  0.603751D+01  0.150821D+01
      2   0.140003D+01 -0.888318D+01 -0.247861D+01 -0.246639D+01 -0.303956D-01
      3   0.207834D+00 -0.135761D+01  0.273113D+01  0.601949D+01  0.225643D+01
               211           212           213           214           215 
      1   0.143495D+01  0.630766D+01 -0.124663D+01  0.723090D+00 -0.421066D+01
      2  -0.278600D+01 -0.327210D+01 -0.134365D+01 -0.571353D+00 -0.186723D+00
      3   0.586505D+01  0.821518D+01  0.133571D+01 -0.350003D+00 -0.234928D+01
               216           217           218           219           220 
      1  -0.259061D+00  0.985465D-01 -0.242863D+01 -0.180345D+01 -0.210808D+01
      2  -0.467949D+00 -0.148987D+01 -0.631127D+00 -0.113804D+01  0.366857D+00
      3   0.263064D+00  0.112085D+01 -0.150994D+01  0.101601D+01 -0.276221D+00
               221           222           223           224           225 
      1   0.147370D+01  0.395728D+01  0.323000D+00 -0.118595D+01 -0.128434D+02
      2  -0.468847D+00  0.898867D+00 -0.270095D+01 -0.124448D+01 -0.832451D+01
      3   0.941187D+00  0.143550D+01  0.242817D+01  0.104519D+00  0.136797D+01
               226           227           228           229           230 
      1   0.197758D+01  0.260462D+01  0.262748D+00  0.480439D+01  0.667740D+01
      2  -0.130227D+01 -0.177159D+01  0.216922D+01 -0.622041D+01 -0.155584D+01
      3  -0.275944D+01 -0.456792D+01 -0.321460D+00 -0.511427D+01 -0.958026D+01
               231           232           233           234           235 
      1   0.472264D+00 -0.209990D+01 -0.468829D+00  0.118954D+00  0.197584D+01
      2  -0.741347D+00  0.416046D+01  0.112308D+01  0.931679D+00 -0.223760D+01
      3  -0.177917D+01  0.195013D+01  0.207964D+01 -0.662326D-01 -0.157272D+01
               236           237           238           239           240 
      1  -0.110936D+01  0.934571D+00 -0.366585D+00  0.664739D+00  0.595300D+00
      2  -0.178307D+00 -0.458490D+01  0.995500D+00  0.202634D+01  0.576954D+00
      3   0.927095D-01 -0.735413D+00  0.120912D+01 -0.450019D+00 -0.155017D+01
               241           242           243           244           245 
      1  -0.655814D+00  0.263816D+01  0.135074D+01 -0.886764D+01  0.435757D+01
      2   0.790754D+00  0.189750D+01  0.152737D+02 -0.185442D+01 -0.758752D+00
      3   0.915609D+00 -0.223257D+01 -0.164707D+01  0.549811D+01 -0.166394D+01
               246           247           248           249           250 
      1  -0.621835D+01  0.518542D+01  0.111300D+02 -0.413491D+01 -0.468741D+01
      2   0.309914D+00  0.186556D+00  0.170064D+01  0.584443D+00 -0.313209D+01
      3   0.700086D+01  0.354069D+01  0.634769D+00 -0.708580D+01  0.113630D+02
               251           252           253           254           255 
      1  -0.316456D+01 -0.296483D+01  0.288708D+01  0.392081D+01 -0.134751D+01
      2  -0.155337D+00 -0.460823D+00 -0.166387D+02  0.182978D+02  0.145482D+02
      3  -0.823613D+01  0.518270D+01  0.206774D+02 -0.272440D+02 -0.159547D+02
               256           257           258           259           260 
      1   0.543047D+01 -0.219074D+02  0.305259D+00 -0.977790D+01  0.282538D+02
      2   0.650015D+01  0.191365D+01  0.521147D+01 -0.357836D+01  0.169375D+02
      3  -0.178159D+01 -0.176479D+02 -0.406538D+01 -0.725236D+01 -0.353206D+01
               261           262           263           264           265 
      1   0.174364D+02  0.506236D+01 -0.243510D+01 -0.386510D+01 -0.183539D+01
      2   0.134753D+02  0.708214D+01  0.959503D+00 -0.154313D+01 -0.291884D+01
      3  -0.410459D+01  0.121498D+02 -0.193992D+01 -0.553270D+01 -0.397200D+01
               266           267           268           269           270 
      1   0.211917D+01  0.144789D+00 -0.302832D+01  0.162782D+01  0.246766D+01
      2  -0.188103D+01  0.114987D+01 -0.523617D+00  0.294250D+00  0.554619D+00
      3   0.338785D+00  0.245554D+01 -0.199438D+01  0.434128D+00  0.290980D+01
               271           272           273           274           275 
      1   0.593065D+00 -0.533078D+00  0.430303D+01 -0.994373D+00 -0.401364D+00
      2  -0.610779D+00  0.440779D+01 -0.538597D+01  0.195555D+01  0.190277D+01
      3  -0.765093D-01  0.328465D+01 -0.354691D+01  0.242961D+01  0.182586D+01
               276           277           278           279           280 
      1   0.368366D-01  0.746974D+00  0.333780D+00  0.887752D+01 -0.679100D+01
      2  -0.889867D+00 -0.248974D+01  0.207188D+01 -0.763816D+01  0.256979D+01
      3  -0.288298D+00 -0.117124D+01  0.203581D+01 -0.229906D+01  0.138926D+02
               281           282           283           284           285 
      1  -0.120699D+01 -0.537210D+01 -0.418836D+00 -0.129408D+01 -0.911645D+00
      2   0.546219D+00  0.349136D+01  0.133834D+00  0.731865D+00  0.114120D-01
      3  -0.896099D+00  0.599221D+01 -0.109041D+00  0.451953D+01 -0.409776D+00
               286           287           288           289           290 
      1  -0.646255D+01 -0.110488D+01 -0.897705D+01  0.276187D-01  0.146674D+00
      2   0.138544D+01  0.139330D+01  0.341140D+01  0.240507D+00  0.456689D+00
      3   0.957855D+01 -0.526077D+00  0.513674D+01  0.174524D+01  0.353842D+01
               291           292           293           294           295 
      1  -0.158166D+01  0.194578D+01  0.456765D+01 -0.705580D+01 -0.150671D+01
      2   0.730149D+00  0.226960D+00 -0.166487D+01  0.162098D+01 -0.810120D+00
      3  -0.100042D+01  0.512287D+01 -0.225012D+01 -0.840349D-02 -0.841389D+00
               296           297           298           299           300 
      1  -0.234391D+01  0.698246D+01  0.188011D-01 -0.927797D-01  0.129837D+01
      2   0.158898D+01 -0.179888D+01  0.206305D+00 -0.548840D+00  0.587456D+00
      3   0.349607D+01  0.239894D+00 -0.137206D+01  0.372066D+01  0.104726D+01
               301           302           303           304           305 
      1   0.171628D+01 -0.469311D+01 -0.714945D+01  0.135720D+01 -0.245584D+01
      2  -0.385055D+00 -0.141672D+01 -0.133018D+01 -0.945925D+00 -0.144807D+01
      3   0.527111D+01  0.187388D+01 -0.422321D-01  0.100717D+01  0.350162D+01
               306           307           308           309           310 
      1  -0.703799D+01  0.681318D+01 -0.158782D+01  0.548301D+01 -0.731917D+00
      2  -0.148746D+01  0.223390D+01 -0.581417D+00  0.326343D+01 -0.178298D+00
      3  -0.225822D+00 -0.139242D+02 -0.362212D+00 -0.597983D+01  0.403885D+00
               311           312           313           314           315 
      1   0.129195D+01 -0.117569D+01  0.645373D+01 -0.152494D+01  0.912665D+01
      2   0.695183D+00 -0.963782D-01  0.104312D+01 -0.138763D+01  0.302442D+01
      3  -0.439546D+01 -0.746013D-01 -0.957142D+01  0.178393D-02 -0.513173D+01
               316           317           318           319           320 
      1  -0.488624D+01 -0.232421D+01  0.377777D+01 -0.153212D+01 -0.196182D+01
      2   0.735558D+01 -0.126109D+01 -0.174129D+01  0.256519D+01 -0.185818D+01
      3  -0.122998D+02 -0.134023D+01  0.560440D+01 -0.332896D+01 -0.263586D-01
               321           322           323           324           325 
      1  -0.102192D+00  0.305943D+01  0.145334D+01 -0.244919D+01 -0.698059D+00
      2  -0.105028D+01 -0.693113D+00 -0.296304D+00  0.676594D+00 -0.837966D+00
      3   0.215334D+01  0.201689D+01  0.282302D+00 -0.293819D+01  0.310445D+00
               326           327           328           329           330 
      1  -0.680877D+00 -0.451193D+01 -0.103763D+01  0.573449D+00  0.291179D+00
      2  -0.425385D+01 -0.513066D+01 -0.180226D+01  0.215708D+01  0.109405D+01
      3   0.319695D+01  0.352342D+01  0.234020D+01 -0.209497D+01 -0.437781D+00
               331           332           333 
      1  -0.851896D+00  0.309557D+00 -0.919721D+01
      2  -0.254792D+01 -0.195046D+01 -0.720630D+01
      3   0.126316D+01  0.196222D+01  0.228660D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412049D+02 -0.707997D+01 -0.233575D+02 -0.258535D+01  0.185455D+02
      2   0.266159D+02  0.901617D+01  0.134093D+02  0.558288D+01 -0.103103D+02
      3   0.145890D+02 -0.193620D+01  0.994824D+01 -0.299753D+01 -0.823526D+01
      4  -0.148012D+02  0.920654D+01 -0.718795D+01  0.110098D+02  0.450429D+01
      5  -0.262089D+02 -0.123556D+01 -0.593193D+01  0.422737D+01 -0.844372D+01
      6  -0.696125D+01  0.596666D+01  0.408306D+00  0.413604D+01 -0.100180D+02
                 6             7             8             9            10 
      1   0.842696D+01 -0.198724D+02  0.591685D+01 -0.615964D+00  0.937744D+01
      2  -0.102863D+02  0.117870D+02 -0.785083D+01 -0.336362D+01 -0.647337D+01
      3   0.185938D+01  0.808545D+01  0.193399D+01  0.397959D+01 -0.290407D+01
      4  -0.800028D+01 -0.477901D+01 -0.657167D+01 -0.423531D+01 -0.289897D+00
      5  -0.475613D+01 -0.697116D+01 -0.386592D+01  0.410654D+01  0.109750D+02
      6  -0.100768D+02  0.173821D+00 -0.761165D+01  0.520526D+00  0.758055D+01
                11            12            13            14            15 
      1   0.336923D+01  0.129717D+02  0.239618D+01 -0.160792D+02 -0.370399D+01
      2  -0.117670D+02 -0.530471D+01 -0.125181D+02  0.356192D+01  0.106523D+02
      3   0.839775D+01 -0.766700D+01  0.101219D+02  0.125173D+02 -0.694832D+01
      4  -0.218462D+02  0.601520D+01 -0.270469D+02 -0.232135D+02  0.185645D+02
      5  -0.529353D+00 -0.950492D+01  0.126187D+01  0.214535D+02  0.376311D+01
      6   0.473306D+01 -0.109844D+01  0.103283D+02  0.123479D+02 -0.384524D+01
                16            17            18            19            20 
      1   0.954698D+01 -0.425927D+01 -0.542516D+01  0.609386D+00  0.200504D+01
      2  -0.319583D+01  0.974824D+01  0.244862D+01 -0.436289D+01  0.284407D+01
      3  -0.635116D+01 -0.548897D+01  0.297654D+01  0.375350D+01 -0.484911D+01
      4   0.556951D+01  0.150742D+02  0.614019D+00  0.581247D+01  0.141789D+02
      5  -0.807271D+01  0.229130D+01 -0.363809D+01 -0.353891D+01 -0.242545D+01
      6  -0.195295D+01 -0.455814D+01 -0.354039D+01 -0.786343D+01 -0.665536D+01
                21            22            23            24            25 
      1  -0.645673D+01 -0.124471D+01  0.134571D+02 -0.340591D+00 -0.146449D+01
      2   0.441902D+01  0.392523D+01 -0.161190D+02  0.238785D+01  0.193716D+01
      3   0.203771D+01 -0.268052D+01  0.266194D+01 -0.204726D+01 -0.472669D+00
      4  -0.864471D+01  0.937452D+01  0.863400D+01 -0.542032D+01 -0.524455D+01
      5   0.628349D+01 -0.110273D+01 -0.707577D+01  0.276250D+01  0.543937D+01
      6   0.259301D+01 -0.706924D+01 -0.124145D+01  0.657190D+01  0.105580D+01
                26            27            28            29            30 
      1  -0.151353D+01  0.935170D+01 -0.124916D+02  0.886184D-01  0.526293D+01
      2   0.153545D+01  0.394966D+01  0.367334D+01 -0.686883D-01 -0.631798D+01
      3  -0.219104D-01 -0.133014D+02  0.881828D+01 -0.199302D-01  0.105504D+01
      4  -0.272147D+01  0.160040D+01  0.952995D-01 -0.734706D+01 -0.389392D+00
      5   0.398746D+00  0.503397D+01  0.336240D+01 -0.252112D+00 -0.427150D+01
      6   0.439512D+01  0.480940D+01 -0.237065D+00 -0.362843D+01 -0.720392D-03
                31            32            33            34            35 
      1   0.187961D-01  0.403398D+01 -0.414331D+00  0.800304D+01 -0.559139D+00
      2   0.451745D-02 -0.118300D+02  0.446350D+00 -0.886292D+01  0.568494D+00
      3  -0.233136D-01  0.779601D+01 -0.320188D-01  0.859881D+00 -0.935505D-02
      4  -0.873442D+01 -0.140124D-01 -0.678186D+01 -0.544355D+00 -0.896653D+01
      5  -0.213483D+00 -0.411045D+01 -0.597334D-02  0.306735D+01 -0.732295D-02
      6  -0.372961D+01  0.275699D+00 -0.441545D+01 -0.190678D-02  0.218352D+01
                36            37            38            39            40 
      1   0.109130D+01  0.215748D+00 -0.232720D+00 -0.565775D+01  0.263025D+01
      2   0.115750D+01 -0.428695D+01 -0.452345D+01  0.357315D+01 -0.522140D+01
      3  -0.224880D+01  0.407120D+01  0.475617D+01  0.208460D+01  0.259115D+01
      4   0.117777D-01 -0.487196D+01  0.138517D+02  0.880493D+01  0.880592D+01
      5   0.910563D+00 -0.297809D+01  0.193504D+01  0.605215D+01  0.593574D+00
      6  -0.135439D-01  0.737416D+01 -0.696852D+01 -0.257222D+01 -0.731596D+01
                41            42            43            44            45 
      1   0.125065D+02  0.105007D+00 -0.946875D+00  0.132132D+01  0.921848D+01
      2  -0.148685D+02 -0.201938D+01  0.142141D+01 -0.130567D+01  0.407561D+01
      3   0.236196D+01  0.191437D+01 -0.474530D+00 -0.156449D-01 -0.132941D+02
      4  -0.108100D+02 -0.587917D+01  0.528533D+01 -0.308664D+01 -0.181504D+01
      5  -0.710594D+01 -0.270604D+01  0.540052D+01 -0.421482D+00  0.480863D+01
      6   0.217936D+01  0.679417D+01 -0.109233D+01  0.444937D+01 -0.505854D+01
                46            47            48            49            50 
      1   0.891152D+01 -0.621765D+01  0.126238D+02 -0.560220D+01 -0.134953D+02
      2  -0.517316D+01  0.137897D+02 -0.526006D+01  0.150442D+02  0.238399D+00
      3  -0.373836D+01 -0.757208D+01 -0.736374D+01 -0.944200D+01  0.132569D+02
      4  -0.251509D+01 -0.197204D+02 -0.605884D+01 -0.250955D+02  0.259036D+02
      5   0.106647D+02  0.112676D+01 -0.960817D+01 -0.413136D+00  0.208380D+02
      6  -0.739109D+01  0.441027D+01  0.137075D+01  0.101042D+02 -0.138731D+02
                51            52            53            54            55 
      1   0.470081D+01  0.935322D+01  0.506090D+01 -0.551842D+01 -0.390220D+02
      2  -0.119846D+02 -0.319519D+01 -0.108579D+02  0.257079D+01  0.243621D+02
      3   0.728374D+01 -0.615803D+01  0.579696D+01  0.294763D+01  0.146599D+02
      4   0.181160D+02 -0.556104D+01  0.146755D+02 -0.329602D+00  0.183405D+02
      5  -0.350143D+01 -0.815142D+01 -0.219776D+01 -0.338407D+01 -0.258247D+02
      6  -0.373989D+01  0.212022D+01 -0.450462D+01  0.369703D+01  0.844935D+01
                56            57            58            59            60 
      1   0.100854D+02 -0.228653D+02  0.579675D+01  0.175539D+02 -0.809704D+01
      2  -0.110448D+02  0.130499D+02 -0.791772D+01 -0.907421D+01  0.103822D+02
      3   0.959382D+00  0.981534D+01  0.212097D+01 -0.847968D+01 -0.228513D+01
      4   0.734390D+01  0.842706D+01  0.969906D+01 -0.660467D+01 -0.754161D+01
      5   0.228126D+01 -0.574710D+01 -0.328436D+01 -0.792950D+01  0.458149D+01
      6   0.584466D+01 -0.521070D+00  0.440036D+01  0.990177D+01 -0.102745D+02
                61            62            63            64            65 
      1  -0.195931D+02 -0.556186D+01 -0.170348D+00  0.114672D+02 -0.597605D+01
      2   0.115963D+02  0.786048D+01 -0.375616D+01 -0.107932D+02  0.574661D+01
      3   0.799681D+01 -0.229862D+01  0.392650D+01 -0.673944D+00  0.229436D+00
      4   0.588584D+01 -0.623226D+01  0.406695D+01 -0.183552D+02 -0.497454D+01
      5  -0.674128D+01  0.383437D+01  0.406260D+01  0.117206D+02 -0.498436D+01
      6  -0.217954D+00 -0.776735D+01 -0.690875D+00 -0.316752D+01 -0.455704D+01
                66            67            68            69            70 
      1   0.639855D+01 -0.101989D+02 -0.966051D+01 -0.302402D+01  0.404831D+01
      2  -0.704365D+01  0.753528D+01  0.248707D+01  0.134609D+01 -0.385357D+01
      3   0.645101D+00  0.266360D+01  0.717343D+01  0.167793D+01 -0.194737D+00
      4  -0.818360D+01 -0.119810D+00 -0.349570D+01  0.619991D+01 -0.469402D+01
      5   0.927559D+01 -0.534001D+01  0.187488D+01 -0.179291D+01  0.559652D+01
      6  -0.152414D+01 -0.276250D+01 -0.203469D+01  0.439275D+01 -0.922322D+00
                71            72            73            74            75 
      1  -0.153392D+01  0.759873D+01  0.136187D+02  0.456492D+01  0.724533D+01
      2   0.293529D+01  0.649732D+01 -0.128502D+02 -0.466921D+01 -0.777976D+01
      3  -0.140137D+01 -0.140960D+02 -0.768546D+00  0.104285D+00  0.534429D+00
      4   0.231646D+01 -0.423960D+01  0.170612D+02 -0.605384D+01  0.784678D+01
      5  -0.167487D+01 -0.678927D+01  0.122875D+02  0.436965D+01  0.939183D+01
      6   0.429721D+01  0.670898D+00  0.235752D+01 -0.477788D+01  0.131690D+01
                76            77            78            79            80 
      1   0.925247D+01 -0.999320D+01  0.326299D+01  0.459084D+01  0.155112D+01
      2  -0.689089D+01  0.272123D+01 -0.153530D+01 -0.443161D+01 -0.295688D+01
      3  -0.236158D+01  0.727196D+01 -0.172769D+01 -0.159229D+00  0.140576D+01
      4  -0.145864D+01  0.432940D+01  0.565868D+01  0.443141D+01  0.192277D+01
      5   0.480479D+01  0.154523D+01  0.158667D+01  0.576119D+01  0.165029D+01
      6  -0.299365D+01  0.231605D+01  0.426179D+01  0.880523D+00  0.417905D+01
                81            82            83            84            85 
      1   0.801339D+01 -0.578556D+01 -0.313853D+01  0.101504D+02 -0.551773D+01
      2   0.611774D+01  0.875440D+01  0.310395D+01 -0.323122D+01  0.904363D+01
      3  -0.141311D+02 -0.296884D+01  0.345832D-01 -0.691915D+01 -0.352590D+01
      4   0.419944D+01 -0.597853D+01  0.265126D+01  0.514456D+01  0.309789D+01
      5  -0.681672D+01  0.881594D+01 -0.163511D+01 -0.107415D+01 -0.146998D+01
      6  -0.382389D+00  0.524214D+01 -0.471963D+01  0.501669D+01 -0.336315D+01
                86            87            88            89            90 
      1  -0.172531D+02  0.903307D+01  0.728937D+01  0.540768D+01  0.244118D+01
      2   0.171259D+02 -0.162391D+02 -0.592769D+00 -0.906840D+01  0.421146D+01
      3   0.127138D+00  0.720598D+01 -0.669660D+01  0.366072D+01 -0.665264D+01
      4   0.459061D+01 -0.356983D+01  0.635127D+01 -0.307390D+01  0.301801D+01
      5  -0.749822D+01  0.193371D+01 -0.583965D-01  0.805590D+00 -0.214474D+01
      6  -0.129430D+02  0.641180D+01  0.394562D+01  0.288972D+01  0.582919D+01
                91            92            93            94            95 
      1  -0.210320D+01  0.312125D+01 -0.686999D+01  0.565322D+01  0.149586D+02
      2  -0.150371D+00 -0.529313D+01  0.453569D+01 -0.107357D+02 -0.201699D+02
      3   0.225357D+01  0.217187D+01  0.233430D+01  0.508251D+01  0.521128D+01
      4  -0.576326D+01 -0.388390D+01 -0.129455D+02 -0.505624D+01 -0.108376D+02
      5  -0.572643D+01 -0.965236D+00 -0.360843D+01 -0.971929D+00  0.665843D+01
      6  -0.131541D+02  0.380254D+01 -0.867999D+01  0.398827D+01  0.285974D+02
                96            97            98            99           100 
      1  -0.151116D+02 -0.952324D+01 -0.198062D+02  0.308740D+01  0.687086D+02
      2   0.282129D+02  0.735093D+01  0.317812D+02 -0.707658D+01 -0.372545D+02
      3  -0.131014D+02  0.217231D+01 -0.119750D+02  0.398918D+01 -0.314541D+02
      4   0.559909D+01 -0.145731D+02  0.841407D+01 -0.119725D+02 -0.300457D+02
      5  -0.101947D+01 -0.535935D+01 -0.420795D+01 -0.115924D+00  0.310483D+02
      6  -0.104095D+02 -0.119287D+02 -0.137937D+02  0.183355D+01 -0.900802D+01
               101           102           103           104           105 
      1  -0.907757D+01  0.184464D+02  0.176303D+01  0.597445D+01  0.227204D+01
      2   0.235193D+01 -0.125642D+02 -0.470508D+01 -0.197326D+01 -0.354207D+01
      3   0.672564D+01 -0.588218D+01  0.294206D+01 -0.400119D+01  0.127003D+01
      4   0.128795D+02 -0.823706D+01  0.109255D+02 -0.562431D+01  0.441070D+01
      5  -0.456385D+01  0.178079D+02  0.652437D+00  0.560688D+01 -0.531738D+00
      6   0.306595D+01 -0.605626D+01  0.303318D+01 -0.326447D+01  0.380306D+01
               106           107           108           109           110 
      1   0.146225D+02 -0.680945D+00  0.112710D+02 -0.317729D+01 -0.929906D+01
      2  -0.119532D+02 -0.584051D+00 -0.928088D+01  0.303078D+01  0.865621D+01
      3  -0.266922D+01  0.126500D+01 -0.199012D+01  0.146503D+00  0.642854D+00
      4  -0.794670D+01  0.445930D+01 -0.705616D+01 -0.343206D-01 -0.909490D+00
      5   0.209162D+02 -0.407764D+01  0.134992D+02  0.294082D+01 -0.784435D+00
      6  -0.715684D+01  0.442012D+01 -0.471575D+01 -0.519422D+01 -0.562570D+01
               111           112           113           114           115 
      1   0.873524D+01 -0.534570D+01 -0.193183D+02  0.100941D+02  0.567289D+01
      2  -0.467489D+01  0.351265D+01  0.244537D+02 -0.918811D+01 -0.250392D+01
      3  -0.406035D+01  0.183306D+01 -0.513544D+01 -0.905983D+00 -0.316897D+01
      4  -0.209251D+01  0.427930D+01 -0.146301D+02  0.679107D+01 -0.450376D+01
      5  -0.659228D+00 -0.179106D+01  0.691677D+01 -0.858496D+01  0.309692D+01
      6   0.499199D+01 -0.675703D+00 -0.181813D+02  0.142647D+02  0.446082D+00
               116           117           118           119           120 
      1   0.772529D+01 -0.100328D+02  0.146621D+02 -0.953254D+01 -0.521142D+01
      2  -0.587937D+01  0.491182D+01 -0.366330D+00 -0.296975D+01  0.135878D+01
      3  -0.184592D+01  0.512098D+01 -0.142957D+02  0.125023D+02  0.385264D+01
      4   0.686738D+01 -0.543606D+01 -0.243417D+02  0.228212D+02  0.751477D+01
      5  -0.676367D+01  0.794452D+01 -0.109075D+02  0.707970D+01  0.859759D+01
      6   0.131219D+02 -0.133805D+02  0.724316D+01 -0.552257D+01 -0.445224D+01
               121           122           123           124           125 
      1  -0.791703D+01 -0.861625D+00 -0.189546D+01 -0.356410D+01 -0.179296D+01
      2  -0.894509D+01  0.245148D+02  0.676399D+01  0.100549D+01  0.388170D+01
      3   0.168621D+02 -0.236532D+02 -0.486854D+01  0.255861D+01 -0.208875D+01
      4   0.319589D+02 -0.446371D+02 -0.148692D+02  0.875054D+01 -0.120213D+02
      5   0.965686D+01 -0.151173D+02 -0.100009D+02  0.115236D+02 -0.108252D+02
      6  -0.101307D+02  0.180154D+02  0.114886D+02 -0.793655D+01  0.122602D+02
               126           127           128           129           130 
      1   0.732602D+00  0.231177D+02  0.759226D+01 -0.983866D+01  0.155077D+02
      2   0.167181D+01 -0.166008D+02 -0.674815D+01  0.823099D+01 -0.132004D+02
      3  -0.240441D+01 -0.651689D+01 -0.844112D+00  0.160767D+01 -0.230738D+01
      4  -0.117378D+02  0.189735D+01  0.655671D+01 -0.439723D-01  0.705501D+01
      5  -0.883217D+01 -0.152836D+02 -0.392785D+01  0.123699D+02 -0.876142D+01
      6   0.859709D+01  0.830016D+00 -0.184503D+01 -0.189880D+01 -0.289048D+01
               131           132           133           134           135 
      1   0.921499D+01 -0.517573D+01 -0.939681D+01 -0.142561D+01  0.654354D+01
      2  -0.858153D+01  0.853138D+01  0.905542D+01  0.493542D+01 -0.109418D+02
      3  -0.633466D+00 -0.335565D+01  0.341395D+00 -0.350981D+01  0.439828D+01
      4   0.882383D+01 -0.732692D+01  0.164700D+01 -0.611549D+01  0.286100D+01
      5  -0.102615D+02  0.113251D+02  0.134135D+02  0.582426D+01 -0.151185D+02
      6  -0.180068D+01  0.506239D+00 -0.153453D+01  0.234423D+01  0.122075D+01
               136           137           138           139           140 
      1   0.177529D+02  0.109037D+02 -0.584815D+01  0.100548D+02  0.216915D+01
      2  -0.210591D+01  0.201191D+01  0.178022D+01  0.715247D+01  0.201713D+02
      3  -0.156470D+02 -0.129157D+02  0.406793D+01 -0.172073D+02 -0.223404D+02
      4   0.260966D+02  0.234001D+02 -0.785542D+01  0.327590D+02  0.431570D+02
      5  -0.120106D+02 -0.748396D+01  0.921467D+01 -0.102780D+02 -0.151740D+02
      6  -0.744425D+01 -0.565515D+01  0.453747D+01 -0.101585D+02 -0.166920D+02
               141           142           143           144           145 
      1   0.838038D+00 -0.423062D+01  0.995634D+00  0.174856D+01  0.219332D+02
      2  -0.554819D+01  0.164081D+01 -0.294706D+01  0.664164D+00 -0.155124D+02
      3   0.471016D+01  0.258980D+01  0.195142D+01 -0.241272D+01 -0.642078D+01
      4  -0.149115D+02 -0.895727D+01 -0.118241D+02  0.117626D+02 -0.292603D+01
      5   0.101155D+02  0.123316D+02  0.108346D+02 -0.921018D+01 -0.147032D+02
      6   0.108755D+02  0.792525D+01  0.114612D+02 -0.822101D+01 -0.383984D+00
               146           147           148           149           150 
      1  -0.758364D+01 -0.956114D+01 -0.155375D+02  0.941510D+01  0.497047D+01
      2   0.655598D+01  0.784445D+01  0.129519D+02 -0.858070D+01 -0.823710D+01
      3   0.102766D+01  0.171669D+01  0.258558D+01 -0.834400D+00  0.326663D+01
      4   0.700831D+01  0.558924D+00  0.799943D+01 -0.102001D+02 -0.792453D+01
      5   0.409328D+01  0.119670D+02  0.887705D+01 -0.107428D+02 -0.118623D+02
      6  -0.191644D+01  0.140455D+01 -0.315322D+01  0.246902D+01  0.921393D+00
               151           152           153           154           155 
      1  -0.942067D+01  0.128750D+01  0.626697D+01  0.715416D+02  0.743229D+01
      2   0.892856D+01 -0.478863D+01 -0.106194D+02 -0.396393D+02 -0.188066D+01
      3   0.492119D+00  0.350113D+01  0.435244D+01 -0.319023D+02 -0.555164D+01
      4  -0.112972D+01 -0.635802D+01 -0.359504D+01  0.264468D+02  0.114386D+02
      5   0.131768D+02 -0.627899D+01 -0.150639D+02  0.316403D+02  0.359387D+01
      6   0.106686D+01  0.257134D+01 -0.533901D+00  0.794568D+01  0.265351D+01
               156           157           158           159           160 
      1   0.190656D+02 -0.349576D+01  0.620660D+01 -0.270908D+01  0.152580D+02
      2  -0.131113D+02  0.532387D+01 -0.251338D+01  0.371819D+01 -0.125717D+02
      3  -0.595422D+01 -0.182811D+01 -0.369322D+01 -0.100910D+01 -0.268638D+01
      4   0.708345D+01  0.103695D+02  0.439649D+01  0.434866D+01  0.689885D+01
      5   0.181053D+02 -0.161978D+01  0.561717D+01 -0.870842D-01  0.213957D+02
      6   0.544449D+01  0.287184D+01  0.280374D+01  0.354003D+01  0.643056D+01
               161           162           163           164           165 
      1   0.364648D+00  0.118759D+02 -0.247258D+01  0.863875D+01  0.853186D+01
      2   0.756079D+00 -0.987306D+01  0.246293D+01 -0.780142D+01 -0.452048D+01
      3  -0.112073D+01 -0.200281D+01  0.965067D-02 -0.837332D+00 -0.401138D+01
      4   0.410770D+01  0.616190D+01  0.475898D+00 -0.110828D+01  0.176887D+01
      5   0.334475D+01  0.137125D+02  0.328264D+01  0.667555D+00 -0.552341D+00
      6   0.396201D+01  0.413490D+01  0.478785D+01 -0.523602D+01 -0.445444D+01
               166           167           168           169           170 
      1   0.509618D+01 -0.186293D+02 -0.986411D+01  0.575177D+01 -0.741245D+01
      2  -0.303782D+01  0.236451D+02  0.877905D+01 -0.265878D+01  0.543204D+01
      3  -0.205836D+01 -0.501587D+01  0.108505D+01 -0.309299D+01  0.198041D+01
      4   0.456587D+01  0.163013D+02  0.749890D+01  0.442054D+01  0.723804D+01
      5   0.194099D+01  0.756070D+01  0.921816D+01  0.335008D+01  0.716083D+01
      6  -0.230029D+00  0.181130D+02  0.140836D+02 -0.695619D-01  0.128534D+02
               171           172           173           174           175 
      1  -0.956619D+01  0.118380D+02 -0.623893D+01  0.941606D-02 -0.110711D+02
      2   0.445554D+01 -0.401111D+01  0.269833D+01 -0.270988D+00  0.615731D+01
      3   0.511066D+01 -0.782684D+01  0.354060D+01  0.261572D+00  0.491380D+01
      4   0.603458D+01 -0.107560D+02  0.108328D+02 -0.235715D+01  0.886459D+01
      5   0.845224D+01  0.285508D+01 -0.310186D+01  0.264123D+01 -0.819920D+01
      6   0.130006D+02 -0.278762D+01  0.361919D+01 -0.143791D+01  0.418396D+01
               176           177           178           179           180 
      1   0.462584D+01 -0.227498D+01 -0.612827D+01  0.911652D+00 -0.112564D+01
      2   0.601601D+00  0.369231D+01  0.331916D+01  0.939289D+00 -0.583405D+00
      3  -0.522744D+01 -0.141733D+01  0.280911D+01 -0.185094D+01  0.170904D+01
      4  -0.170267D+02  0.167996D+01 -0.242493D+01 -0.202119D+01 -0.394395D+01
      5   0.309672D+01 -0.562069D+01 -0.214280D+00 -0.323218D+01  0.477570D+00
      6  -0.653472D+01  0.187143D+01 -0.122498D+01  0.800946D+00 -0.175802D+01
               181           182           183           184           185 
      1  -0.416572D+01 -0.301172D+00  0.284454D+01  0.233910D+00 -0.103609D+01
      2   0.156314D+01 -0.303250D+00  0.182409D+01 -0.816441D-01 -0.199850D+01
      3   0.260258D+01  0.604422D+00 -0.466863D+01 -0.152266D+00  0.303459D+01
      4  -0.310023D+01  0.401184D+00 -0.703183D+00  0.312418D+01 -0.179431D+00
      5  -0.165109D+01 -0.534427D+00  0.551850D+00 -0.468044D+00  0.302306D+01
      6   0.958494D-01  0.843238D+00 -0.116206D+00  0.163034D+01 -0.243433D+00
               186           187           188           189           190 
      1  -0.337752D-01  0.261577D+01  0.174243D+01 -0.163922D+02 -0.439123D+01
      2   0.756969D+00 -0.580416D+01  0.163106D+01 -0.183265D+02  0.608413D+01
      3  -0.723193D+00  0.318839D+01 -0.337349D+01  0.347186D+02 -0.169290D+01
      4   0.330366D+01  0.105185D+01  0.413293D+01 -0.331578D+01 -0.441216D+01
      5  -0.667925D+00  0.810744D+01 -0.209578D+01  0.222127D+02  0.284984D+01
      6   0.518910D+01  0.295648D+00  0.357117D+01  0.745787D+00  0.189741D+00
               191           192           193           194           195 
      1   0.615098D+01 -0.165800D+01  0.646578D+01 -0.194070D+02  0.418242D+01
      2  -0.773984D+01  0.940900D+00 -0.638918D+01  0.299827D+02 -0.338207D+01
      3   0.158886D+01  0.717097D+00 -0.765936D-01 -0.105757D+02 -0.800344D+00
      4   0.571218D+00  0.182425D+01  0.577295D+01  0.167601D+01 -0.359668D+00
      5  -0.414985D+00 -0.963006D+00 -0.285313D+01  0.184290D+01  0.827224D+00
      6   0.641352D+01 -0.307526D+01  0.170349D+01 -0.111255D+02  0.597757D+01
               196           197           198           199           200 
      1   0.151936D+01  0.117499D+01 -0.450117D+01 -0.444333D+00  0.133589D+01
      2  -0.130078D+01  0.217806D+01  0.258234D+01 -0.249689D+01 -0.106972D+01
      3  -0.218582D+00 -0.335305D+01  0.191884D+01  0.294122D+01 -0.266168D+00
      4   0.326544D+01  0.385691D+01 -0.172852D+01  0.778939D-01 -0.856986D+00
      5  -0.121153D+01 -0.218554D+00  0.824523D+00 -0.189935D+01  0.248719D+00
      6  -0.228536D+01  0.252886D+01 -0.179452D+01 -0.387917D+00  0.216226D+01
               201           202           203           204           205 
      1  -0.327242D+01 -0.131412D+01 -0.390089D+01  0.439546D+00 -0.283794D+01
      2   0.919519D+00  0.106485D+01  0.128270D+01 -0.431187D+01  0.246144D+01
      3   0.235290D+01  0.249274D+00  0.261819D+01  0.387232D+01  0.376507D+00
      4  -0.886277D+00 -0.231035D+01 -0.352380D+01  0.292360D+00 -0.374380D+01
      5   0.370166D+01  0.103065D+01  0.665969D+00 -0.215024D+01  0.421898D+01
      6  -0.177409D+01  0.208106D+01 -0.560143D+00  0.213441D+01  0.900735D+00
               206           207           208           209           210 
      1   0.464949D+01 -0.199897D+02 -0.473531D+01 -0.673929D+01 -0.199362D+01
      2  -0.595602D+00 -0.139757D+02  0.645794D+01  0.869173D+01  0.123735D+01
      3  -0.405389D+01  0.339654D+02 -0.172263D+01 -0.195244D+01  0.756275D+00
      4  -0.280369D+01 -0.415760D+00  0.491695D+01  0.966418D+00 -0.170645D+01
      5   0.296270D+01 -0.137624D+02  0.285625D+01  0.661512D+00 -0.867958D+00
      6   0.732413D+01 -0.178840D+02  0.717848D-01  0.684580D+01  0.337186D+01
               211           212           213           214           215 
      1  -0.661846D+01 -0.188753D+02 -0.408198D+01  0.117779D+01 -0.851711D+00
      2   0.692777D+01  0.293681D+02  0.330928D+01 -0.111143D+01 -0.251711D+01
      3  -0.309309D+00 -0.104928D+02  0.772695D+00 -0.663600D-01  0.336882D+01
      4   0.608691D+01  0.165391D+00  0.375452D-01 -0.323142D+01  0.395656D+01
      5   0.288079D+01  0.216714D+01 -0.530298D+00 -0.111983D+01  0.382225D+00
      6   0.204495D+01  0.105987D+02  0.584498D+01  0.245648D+01  0.238483D+01
               216           217           218           219           220 
      1  -0.433232D+01 -0.494696D+00 -0.153790D+01 -0.320526D+01  0.976581D+00
      2   0.241560D+01 -0.245689D+01  0.128371D+01  0.101802D+01 -0.711871D+00
      3   0.191672D+01  0.295158D+01  0.254183D+00  0.218724D+01 -0.264710D+00
      4   0.204568D+01 -0.288789D+00 -0.578487D+00  0.109225D+01 -0.222979D+01
      5   0.899487D+00 -0.191427D+01 -0.375244D-01  0.386578D+01 -0.816446D+00
      6   0.173799D+01  0.671377D+00  0.216844D+01  0.170658D+01  0.211981D+01
               221           222           223           224           225 
      1  -0.357964D+01 -0.288075D+00 -0.271858D+01 -0.479655D+01 -0.199388D+02
      2   0.967115D+00  0.421968D+01  0.214933D+01  0.735083D+00 -0.139793D+02
      3   0.261253D+01 -0.393160D+01  0.569254D+00  0.406147D+01  0.339182D+02
      4   0.387556D+01  0.461709D+00  0.385792D+01 -0.274091D+01  0.662103D+00
      5   0.738719D+00  0.205155D+01  0.405126D+01 -0.282958D+01 -0.129360D+02
      6   0.350035D+00  0.198115D+01 -0.755309D+00  0.751557D+01  0.185035D+02
               226           227           228           229           230 
      1   0.134169D+02  0.684547D+01  0.276585D+00  0.114728D+02  0.508812D+01
      2  -0.525935D+01 -0.344756D+01 -0.579939D+00 -0.674682D+01 -0.149451D+00
      3  -0.815752D+01 -0.339790D+01  0.303354D+00 -0.472601D+01 -0.493867D+01
      4   0.108348D+02  0.106196D+02  0.239426D+01  0.830486D+01  0.160456D+02
      5   0.340234D+01  0.325879D+01  0.289533D+01  0.837480D+01  0.278254D+01
      6   0.296220D+01  0.364118D+01  0.138502D+01  0.399869D+01  0.599718D+01
               231           232           233           234           235 
      1   0.244836D+01 -0.594139D+01 -0.792249D+00 -0.799204D+00 -0.386857D+01
      2  -0.388426D+01  0.307364D+01 -0.951363D+00 -0.889896D+00  0.128252D+01
      3   0.143590D+01  0.286775D+01  0.174361D+01  0.168910D+01  0.258605D+01
      4   0.129394D+01  0.273945D+01 -0.214856D+01  0.395064D+01  0.345446D+01
      5   0.559894D+01 -0.334343D-01  0.327833D+01  0.530314D+00 -0.158786D+01
      6   0.160197D+01  0.124467D+01  0.629064D+00  0.172842D+01  0.668329D-01
               236           237           238           239           240 
      1   0.453159D+00  0.292441D+01  0.154610D+00 -0.104101D+01  0.175978D+00
      2   0.129164D+00  0.171682D+01 -0.325298D+00 -0.201052D+01 -0.111679D+01
      3  -0.582324D+00 -0.464123D+01  0.170688D+00  0.305153D+01  0.940808D+00
      4   0.259026D+00  0.782823D+00  0.299126D+01 -0.121804D-01  0.323493D+01
      5   0.774347D+00  0.591433D+00  0.728654D+00  0.297279D+01  0.864407D+00
      6   0.821892D+00  0.316286D+00  0.161859D+01  0.484407D-02  0.514268D+01
               241           242           243           244           245 
      1   0.243863D+01 -0.149930D+01 -0.161096D+02 -0.198176D+01 -0.262869D+01
      2  -0.576602D+01 -0.174116D+01 -0.185972D+02  0.285333D-02  0.470252D+01
      3   0.332740D+01  0.324047D+01  0.347068D+02  0.197891D+01 -0.207383D+01
      4  -0.124108D+01  0.418195D+01  0.322122D+01  0.561525D+01 -0.339119D+01
      5   0.816165D+01  0.189974D+01  0.221310D+02 -0.503831D+01  0.161900D+01
      6  -0.495704D+00  0.350206D+01 -0.169595D+01  0.136537D+02  0.177504D+01
               246           247           248           249           250 
      1  -0.497920D+01 -0.526376D+01  0.161310D+02  0.157145D+02 -0.729567D+01
      2   0.201699D+01  0.101830D+02 -0.215525D+02 -0.286929D+02  0.460023D+01
      3   0.296221D+01 -0.491928D+01  0.542151D+01  0.129785D+02  0.269544D+01
      4   0.135646D+02 -0.403180D+01  0.946637D+01  0.304303D+01  0.155304D+02
      5  -0.322435D+01  0.159633D+01  0.524169D+01  0.657925D+00 -0.469267D+01
      6   0.840930D+01  0.204163D+01 -0.290900D+02 -0.107341D+02  0.115409D+02
               251           252           253           254           255 
      1   0.209001D+02  0.415375D+01 -0.483585D+01  0.282136D+01  0.922874D+01
      2  -0.327953D+02 -0.821855D+01  0.768897D+01 -0.294619D+01 -0.202414D+01
      3   0.118952D+02  0.406480D+01 -0.285313D+01  0.124831D+00 -0.720460D+01
      4   0.546543D+01  0.114965D+02  0.684230D+01  0.199380D+01 -0.586353D+01
      5   0.383177D+01 -0.227130D+00  0.868309D+01  0.701134D+00 -0.138927D+01
      6  -0.146430D+02 -0.177378D+01 -0.601658D+01 -0.393148D+01 -0.462061D+01
               256           257           258           259           260 
      1   0.520211D+01 -0.179080D+02 -0.964935D+01  0.648575D+01 -0.591522D+01
      2  -0.884359D+01  0.180022D+02  0.165386D+02  0.370471D+00  0.920619D+01
      3   0.364147D+01 -0.942261D-01 -0.688925D+01 -0.685622D+01 -0.329097D+01
      4   0.199959D+01 -0.317607D+01 -0.216431D+01 -0.682815D+01 -0.209159D+01
      5   0.568804D+00 -0.696837D+01 -0.154720D+01 -0.318077D+00 -0.643471D+00
      6  -0.255096D+01  0.134294D+02  0.663368D+01 -0.377577D+01  0.312454D+01
               261           262           263           264           265 
      1   0.214539D+01  0.168628D+02 -0.281500D+01 -0.527863D+01 -0.343566D+00
      2   0.453634D+01 -0.147387D+02  0.573687D+01  0.743299D+01  0.210597D+01
      3  -0.668172D+01 -0.212406D+01 -0.292187D+01 -0.215436D+01 -0.176240D+01
      4  -0.289075D+01  0.145688D+02  0.588846D+01 -0.678802D+01  0.124226D+01
      5  -0.236369D+01 -0.170927D+02 -0.240820D+01  0.104975D+02  0.234898D+01
      6  -0.578664D+01 -0.680823D+01 -0.354876D+01  0.603141D+01 -0.514017D-01
               266           267           268           269           270 
      1   0.475953D+01 -0.765795D+00 -0.353934D+01 -0.103841D+01  0.153216D+01
      2  -0.344554D+01 -0.490464D-01  0.683998D+01  0.220713D+01 -0.717813D+01
      3  -0.131399D+01  0.814841D+00 -0.330063D+01 -0.116872D+01  0.564597D+01
      4   0.224169D+00  0.435396D+00 -0.278255D+01  0.181436D-01  0.304170D+01
      5  -0.159370D+00 -0.116354D+01  0.780959D+01 -0.137033D-01 -0.718731D+01
      6   0.186855D+01 -0.413067D+00  0.325658D+01  0.104256D+01 -0.474659D+01
               271           272           273           274           275 
      1  -0.354280D+00  0.620157D+01 -0.729587D+01  0.178685D+01 -0.165983D+01
      2  -0.428672D+01 -0.640455D+01 -0.144208D+01 -0.196062D+01 -0.719611D+00
      3   0.464100D+01  0.202980D+00  0.873795D+01  0.173767D+00  0.237944D+01
      4  -0.375682D+01 -0.107919D+01 -0.329190D+01 -0.202224D+00 -0.221637D+01
      5   0.171448D+01  0.332748D+00  0.326485D+01 -0.772627D-01  0.234733D+01
      6  -0.254127D+01  0.560349D+01 -0.824926D+01  0.254688D+01 -0.236499D+01
               276           277           278           279           280 
      1   0.151010D+01 -0.249092D+01  0.583049D+01 -0.147910D+02  0.123685D+02
      2  -0.583897D+00 -0.101278D+01 -0.194721D+01 -0.121688D+02 -0.286483D+01
      3  -0.926202D+00  0.350371D+01 -0.388327D+01  0.269598D+02 -0.950364D+01
      4   0.135236D+01 -0.327994D+01 -0.754533D+00 -0.290582D+01  0.251236D+02
      5  -0.106104D+01  0.380406D+01  0.309431D+00 -0.138436D+01  0.764604D+01
      6   0.487462D+01 -0.167824D+01  0.741763D+01 -0.198289D+02  0.984450D+01
               281           282           283           284           285 
      1  -0.250100D+01  0.462235D+01 -0.339169D+01 -0.135747D+01 -0.962113D+00
      2   0.101881D+02 -0.150980D+01  0.766048D+01  0.579305D+01  0.141874D+01
      3  -0.768706D+01 -0.311255D+01 -0.426879D+01 -0.443558D+01 -0.456627D+00
      4   0.119379D+02  0.974605D+01  0.662528D+01  0.918741D+01  0.203386D+01
      5   0.165765D+01  0.638367D+01  0.692648D+00  0.190060D+01  0.716389D+00
      6   0.295962D+01  0.844088D+01  0.125668D+01  0.207066D+01  0.351096D+01
               286           287           288           289           290 
      1   0.521439D+01 -0.113348D+01  0.638515D+00 -0.354408D+01 -0.829044D+00
      2  -0.246010D+01  0.454201D+01  0.559011D+00  0.879344D+01  0.589246D+01
      3  -0.275429D+01 -0.340853D+01 -0.119753D+01 -0.524936D+01 -0.506342D+01
      4   0.153833D+02  0.594337D+01  0.105619D+02  0.784156D+01  0.156086D+02
      5   0.790276D+01  0.312491D+01  0.791789D+01 -0.152152D+01 -0.342377D+01
      6   0.109684D+02  0.810176D+01  0.136960D+02 -0.473577D+01 -0.434179D+01
               291           292           293           294           295 
      1   0.998480D+00 -0.423357D+01 -0.351978D+02  0.127148D+02  0.380207D+01
      2  -0.229219D+01  0.104618D+02  0.625433D+02 -0.200020D+02 -0.550807D+01
      3   0.129371D+01 -0.622820D+01 -0.273455D+02  0.728723D+01  0.170600D+01
      4  -0.487048D+01  0.121036D+02  0.190728D+02 -0.730709D+01 -0.540632D+01
      5   0.367499D+01 -0.193629D+01 -0.468933D+01  0.302343D+01  0.413781D+01
      6   0.349670D+01 -0.593365D+01 -0.290002D+02  0.179416D+02  0.735781D+01
               296           297           298           299           300 
      1   0.190456D+02 -0.131065D+02 -0.396856D+01  0.749077D+00  0.824818D+00
      2  -0.272126D+02  0.155235D+02  0.876089D+01 -0.481765D+01 -0.180961D+01
      3   0.816698D+01 -0.241697D+01 -0.479233D+01  0.406857D+01  0.984795D+00
      4  -0.102369D+02  0.823649D+01 -0.612396D+01  0.148930D+02  0.451376D+01
      5   0.524410D+01 -0.467940D+01 -0.111892D+01  0.314413D+01  0.342370D+01
      6   0.263960D+02 -0.215850D+02  0.445061D+01 -0.340538D+01 -0.286127D+01
               301           302           303           304           305 
      1   0.381458D+01 -0.369672D+02 -0.133323D+02  0.337022D+01 -0.201382D+02
      2  -0.902706D+01  0.647610D+02  0.206690D+02 -0.471484D+01  0.284448D+02
      3   0.521248D+01 -0.277938D+02 -0.733674D+01  0.134462D+01 -0.830665D+01
      4   0.109988D+02 -0.158068D+02 -0.601974D+01  0.461598D+01 -0.838668D+01
      5   0.156925D+01 -0.360675D+01 -0.236795D+01  0.362414D+01 -0.424004D+01
      6  -0.490244D+01  0.295914D+02  0.181611D+02 -0.634018D+01  0.269853D+02
               306           307           308           309           310 
      1  -0.138014D+02  0.104224D+02  0.285441D+01  0.376170D+01  0.333406D+01
      2   0.162408D+02 -0.141532D+01 -0.107267D+02 -0.617332D+00 -0.778330D+01
      3  -0.243941D+01 -0.900709D+01  0.787226D+01 -0.314437D+01  0.444924D+01
      4  -0.693602D+01 -0.250045D+02  0.120332D+02 -0.996399D+01  0.682167D+01
      5  -0.371546D+01  0.712687D+01 -0.183653D+01  0.598800D+01 -0.897068D+00
      6   0.217695D+02 -0.100176D+02  0.348478D+01 -0.858861D+01  0.165131D+01
               311           312           313           314           315 
      1  -0.249725D+01  0.928970D+00  0.388703D+01  0.140205D+01 -0.300507D+00
      2   0.743289D+01 -0.149978D+01 -0.127136D+01 -0.489387D+01  0.151029D+01
      3  -0.493564D+01  0.570807D+00 -0.261566D+01  0.349182D+01 -0.120978D+01
      4  -0.962885D+01  0.234309D+01 -0.154202D+02  0.633425D+01 -0.105643D+02
      5   0.184472D+01 -0.826674D+00  0.729171D+01 -0.313477D+01  0.731330D+01
      6  -0.230874D+01  0.389635D+01 -0.109530D+02  0.875162D+01 -0.140616D+02
               316           317           318           319           320 
      1   0.155741D+02  0.279201D+01 -0.458463D+01 -0.987777D-01  0.445602D+01
      2  -0.136825D+02 -0.577919D+01  0.678893D+01 -0.170298D+01 -0.296215D+01
      3  -0.189157D+01  0.298718D+01 -0.220430D+01  0.180176D+01 -0.149387D+01
      4  -0.156761D+02  0.611234D+01  0.737926D+01  0.175468D+01 -0.991047D+00
      5  -0.167148D+02  0.303849D+01  0.102580D+02 -0.154251D+01 -0.239272D+00
      6   0.743703D+01 -0.403425D+01 -0.653055D+01 -0.354858D+00 -0.159834D+01
               321           322           323           324           325 
      1   0.101602D+01 -0.321293D+01  0.118386D+01  0.123996D+01 -0.402963D+00
      2  -0.290531D+00  0.646892D+01 -0.248648D+01 -0.688918D+01 -0.422860D+01
      3  -0.725493D+00 -0.325598D+01  0.130261D+01  0.564922D+01  0.463156D+01
      4   0.822205D-01  0.329501D+01 -0.257172D+00 -0.344228D+01  0.353192D+01
      5   0.657287D+00  0.770013D+01 -0.306359D+00 -0.699956D+01  0.182843D+01
      6  -0.149251D+00 -0.359781D+01  0.122431D+01  0.509135D+01  0.284587D+01
               326           327           328           329           330 
      1  -0.628699D+01 -0.701553D+01 -0.182564D+01 -0.113548D+01 -0.110949D+01
      2   0.660658D+01 -0.172922D+01  0.209635D+01 -0.128126D+01  0.567596D+00
      3  -0.319588D+00  0.874474D+01 -0.270710D+00  0.241674D+01  0.541890D+00
      4  -0.569353D+00  0.360756D+01 -0.893024D-01  0.226669D+01  0.127424D+01
      5  -0.396495D-01  0.369542D+01  0.229950D+00  0.242659D+01  0.110115D+01
      6   0.555431D+01  0.826989D+01  0.250621D+01  0.194402D+01  0.447721D+01
               331           332           333 
      1  -0.245704D+01 -0.576029D+01 -0.144979D+02
      2  -0.122369D+01  0.206182D+01 -0.124461D+02
      3   0.368073D+01  0.369847D+01  0.269439D+02
      4   0.331237D+01 -0.552286D+00  0.301342D+01
      5   0.388080D+01 -0.150401D+00 -0.488863D+00
      6   0.184633D+01  0.732498D+01  0.198650D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.658671D-03      0.167418D-02      0.558445D-02
   y          0.143809D-01      0.365526D-01      0.121926D+00
   z          0.725989D-03      0.184528D-02      0.615519D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149422D+03      0.221421D+02      0.246364D+02
   yx        -0.441725D-02     -0.654570D-03     -0.728307D-03
   yy         0.148320D+03      0.219787D+02      0.244546D+02
   zx        -0.453560D-01     -0.672107D-02     -0.747820D-02
   zy        -0.468236D-04     -0.693854D-05     -0.772017D-05
   zz         0.120632D+03      0.178758D+02      0.198895D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142149D+03      0.210643D+02      0.234372D+02
   aniso      0.285942D+02      0.423723D+01      0.471455D+01
   xx         0.152215D+03      0.225560D+02      0.250969D+02
   yx        -0.774556D-02     -0.114777D-02     -0.127707D-02
   yy         0.151135D+03      0.223959D+02      0.249189D+02
   zx        -0.202096D-01     -0.299475D-02     -0.333211D-02
   zy        -0.583337D-03     -0.864416D-04     -0.961792D-04
   zz         0.123096D+03      0.182410D+02      0.202959D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.63170140          1.56519360         -2.77330559
     6         -4.63491925         -1.28260134         -2.93006991
     7         -1.94868331         -2.20046724         -2.72415828
    45         -0.00033715          0.00025888          0.00223332
     7          2.06738136          1.91138398         -2.85031279
     6          4.75860935          0.98506499         -2.84288536
     6          4.74403713         -1.83123877         -2.39211776
     7          3.24147205         -2.35582258         -0.03335288
     7         -3.23342707          2.33310036         -0.41702454
     7          1.56310870          2.20941609          2.96034269
     6          1.18659769          0.86180546          5.43712811
     1          6.65944756         -2.56771819         -2.20264289
     1          3.84681089         -2.83895626         -3.94943791
     1          5.68506960          1.45299991         -4.62308593
     1          5.76803186          1.97940847         -1.34663991
     1         -5.48456994         -1.93423556         -4.69069712
     1         -5.71129724         -2.11756751         -1.38388476
     1         -6.55143104          2.31420944         -2.74583374
     1         -3.66379171          2.40780667         -4.38551415
     1         -4.42914598          2.17120471          1.08583249
     1         -2.84040798          4.21706091         -0.52205729
     1         -1.12845012         -2.09360158         -4.46469920
     1         -1.96699633         -4.08495861         -2.32070815
     1          1.32294939          1.62058459         -4.60378038
     1          2.07102177          3.82770644         -2.64543478
     1          4.36920616         -2.03755754          1.49673061
     1          2.84870975         -4.24138187          0.03829273
     6         -1.41829863         -0.30062832          5.44156318
     7         -1.69189832         -1.89654938          3.10276797
     1          3.42959843          2.64421984          2.76086658
     1          0.68108274          3.92080934          3.05632857
     1          2.64719557         -0.58231926          5.60950426
     1          1.42451777          2.17010910          7.01149378
     1         -1.72544698         -1.44075577          7.13056109
     1         -2.88217764          1.14983129          5.40223913
     1         -3.54901260         -2.35495197          2.87094007
     1         -0.81737675         -3.58656429          3.41140659

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.144143D-01      0.366374D-01      0.122209D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149365D+03      0.221336D+02      0.246269D+02
   yx        -0.126523D+01     -0.187488D+00     -0.208609D+00
   yy         0.120758D+03      0.178945D+02      0.199103D+02
   zx         0.107439D+00      0.159209D-01      0.177144D-01
   zy         0.139152D+01      0.206201D+00      0.229430D+00
   zz         0.148251D+03      0.219686D+02      0.244433D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142149D+03      0.210643D+02      0.234372D+02
   aniso      0.285942D+02      0.423723D+01      0.471455D+01
   xx         0.152155D+03      0.225471D+02      0.250870D+02
   yx        -0.130544D+01     -0.193446D+00     -0.215238D+00
   yy         0.123227D+03      0.182603D+02      0.203173D+02
   zx         0.105149D+00      0.155815D-01      0.173368D-01
   zy         0.140865D+01      0.208741D+00      0.232256D+00
   zz         0.151066D+03      0.223856D+02      0.249074D+02

 ----------------------------------------------------------------------
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 0015\\\@


 I CLAIM NOT TO HAVE CONTROLLED EVENTS,
 BUT CONFESS PLAINLY THAT EVENTS HAVE CONTROLLED ME.

                                         A. LINCOLN
 Job cpu time:       1 days  1 hours 57 minutes 49.8 seconds.
 Elapsed time:       0 days  1 hours 37 minutes 29.8 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 19:05:36 2021.
